<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">289463</id>
  <title nil="true"/>
  <common-name>1-(4-pentoxyphenyl)ethanamine</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>60187</pubchem-id>
  <chemical-formula>C13H21NO</chemical-formula>
  <weight>207.31</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">2026-08-28T02:57:04Z</created-at>
  <updated-at type="dateTime">2026-08-28T02:57:04Z</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>CCCCCOC1=CC=C(C=C1)C(C)N</moldb-smiles>
  <moldb-formula>C13H21NO</moldb-formula>
  <moldb-inchi>InChI=1S/C13H21NO/c1-3-4-5-10-15-13-8-6-12(7-9-13)11(2)14/h6-9,11H,3-5,10,14H2,1-2H3</moldb-inchi>
  <moldb-inchikey>LQGDAZFYSIGWTH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">207.1623143</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.9</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>CHEM285356</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>1-(4-pentoxyphenyl)ethanamine</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>Benzenoids</superklass>
  <klass>Phenol ethers</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0241155</sync-id>
  <structure-inchikey>LQGDAZFYSIGWTH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>60048000000000000002800002000000000000000000000000000000000000000000001002000000200000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000100000200000000000000002020000000000000000000000000000000000000000000000000000000000020000040000000000000000000000000001000000000000000000040000000000000000000000000000400080000000000000008080000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000004000040000000010000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������(������@(������@h�������@h�������@(������@h�������@h��������`�������`�������`����������������������� ��h���h��	h�	
h�
�h�	���������h�B�������
	������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:02:21Z</structure-indexed-at>
</compound>
