<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">304195</id>
  <title nil="true"/>
  <common-name>4-[2-[2-[di(propan-2-yl)amino]ethoxy]ethyl]aniline</common-name>
  <description>4-[2-[2-[di(propan-2-yl)amino]ethoxy]ethyl]aniline belongs to the aniline and substituted anilines, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C16H28N2O and an average molecular weight of 264.41 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>33204</pubchem-id>
  <chemical-formula>C16H28N2O</chemical-formula>
  <weight>264.41</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">2026-08-28T21:40:50Z</created-at>
  <updated-at type="dateTime">2026-08-28T21:40:50Z</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>CC(C)N(CCOCCC1=CC=C(C=C1)N)C(C)C</moldb-smiles>
  <moldb-formula>C16H28N2O</moldb-formula>
  <moldb-inchi>InChI=1S/C16H28N2O/c1-13(2)18(14(3)4)10-12-19-11-9-15-5-7-16(17)8-6-15/h5-8,13-14H,9-12,17H2,1-4H3</moldb-inchi>
  <moldb-inchikey>ARERBHYOFGDIPC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">264.2201635</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3</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>CHEM300088</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-[2-[di(propan-2-yl)amino]ethoxy]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>CED0255339</sync-id>
  <structure-inchikey>ARERBHYOFGDIPC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40040000000000000000800000000000000000000000000000002000000000000000001000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000001100000000000000000000000000000000000000000000004080000000000000000000000000000000000000040040000000000000000000000000009000000000000000001000000000000000000000001000000000080000000000000000004000080000000000000000000000000000000000000000020000000000000000800000000220004000000008000000000000000040000000000000000001000000000080000001000000</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">2026-09-19T05:13:18Z</structure-indexed-at>
</compound>
