<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">298945</id>
  <title nil="true"/>
  <common-name>4-[2-[3-(diethylamino)propoxy]ethyl]aniline</common-name>
  <description>4-[2-[3-(diethylamino)propoxy]ethyl]aniline belongs to the aniline and substituted anilines, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C15H26N2O and an average molecular weight of 250.38 g/mol.</description>
  <cas>27078-57-5</cas>
  <pubchem-id>33691</pubchem-id>
  <chemical-formula>C15H26N2O</chemical-formula>
  <weight>250.38</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">2026-08-28T15:20:47Z</created-at>
  <updated-at type="dateTime">2026-08-28T15:20:47Z</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>CCN(CC)CCCOCCC1=CC=C(C=C1)N</moldb-smiles>
  <moldb-formula>C15H26N2O</moldb-formula>
  <moldb-inchi>InChI=1S/C15H26N2O/c1-3-17(4-2)11-5-12-18-13-10-14-6-8-15(16)9-7-14/h6-9H,3-5,10-13,16H2,1-2H3</moldb-inchi>
  <moldb-inchikey>OZSSYBULHSDRRH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">250.2045135</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.5</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>CHEM294838</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>4-[2-[3-(diethylamino)propoxy]ethyl]aniline</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>Benzene and substituted derivatives</klass>
  <subklass>Aniline and substituted anilines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0250264</sync-id>
  <structure-inchikey>OZSSYBULHSDRRH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000800000000000000000000000000000000000000000100000000002000200000000000000000000000000000000000000000000000000000000000000000000000000000800000000000000001100000000000000000000000000000000000000000000004080000000000800000000000000000000000000040040000000000000000000000000009000000000000000001000000000000000000004000000000000080000000000000000004000000000000000000000000000000500000000000000020000000000000000000000000220000000000008000000000000000040000000010000000001000000040080000001000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`�������`�������`�������`������� ������`�������`������@(������@h�������@h�������@(������@h�������@h��������h��������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:09:25Z</structure-indexed-at>
</compound>
