<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">292377</id>
  <title nil="true"/>
  <common-name>Ethyl 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetate</common-name>
  <description>Ethyl 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C14H18F3NO2 and an average molecular weight of 289.29 g/mol.</description>
  <cas>29484-98-8</cas>
  <pubchem-id>34602</pubchem-id>
  <chemical-formula>C14H18F3NO2</chemical-formula>
  <weight>289.29</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-28T07:40:16Z</created-at>
  <updated-at type="dateTime">2026-08-28T07:40:16Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCOC(=O)CNC(C)CC1=CC(=CC=C1)C(F)(F)F</moldb-smiles>
  <moldb-formula>C14H18F3NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C14H18F3NO2/c1-3-20-13(19)9-18-10(2)7-11-5-4-6-12(8-11)14(15,16)17/h4-6,8,10,18H,3,7,9H2,1-2H3</moldb-inchi>
  <moldb-inchikey>KGFKDHXNUQIRQW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">289.1289633</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.4</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM288270</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>Ethyl 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0243940</sync-id>
  <structure-inchikey>KGFKDHXNUQIRQW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000001800000002000000010000000000000000000000000000000001002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000100000000000000000000020000014000000100000000100000000000000000000000000000000000000003000040200000800000000000000080000000000000000000020000080000000000000000000000000080082000000040000080040000000000000000200000000000000000000000000000000000000000000000002080000220000000000000000000000000000040000000000400800000000800000200000060004040</structure-fingerprint>
  <structure-pattern-fingerprint>5000000001020e0080000100010820000000040000052000003020408200000c44020050008000000000410800800000042000a4008c30010000643000a04200c4190400020004004090102010620302000005805000193240000422400009000e2004060048020040000000d4340000240080500105e0041118000002110002004400080cc0800808020200882c0008111c081244401482000408000040808000c300000010c00000000840017c65100ac00000894108401080021008400210800000a404c00002018002000441028000000000020050000d000000080101000000081000018000004000010012200000100030804200260000000052400002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(�������`�������`�������`�������`�������`������@(������@h�������@(������@h�������@h�������@h�������� ����	� ����	� ����	� ������������� ��(��������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:04:34Z</structure-indexed-at>
</compound>
