<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">296937</id>
  <title nil="true"/>
  <common-name>2-(2-aminoanilino)-3-phenylpropan-1-ol</common-name>
  <description>2-(2-aminoanilino)-3-phenylpropan-1-ol belongs to the phenethylamines, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C15H18N2O and an average molecular weight of 242.32 g/mol.</description>
  <cas>1271712-68-5</cas>
  <pubchem-id>55219210</pubchem-id>
  <chemical-formula>C15H18N2O</chemical-formula>
  <weight>242.32</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">2026-08-28T13:07:51Z</created-at>
  <updated-at type="dateTime">2026-08-28T13:07:51Z</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>C1=CC=C(C=C1)CC(CO)NC2=CC=CC=C2N</moldb-smiles>
  <moldb-formula>C15H18N2O</moldb-formula>
  <moldb-inchi>InChI=1S/C15H18N2O/c16-14-8-4-5-9-15(14)17-13(11-18)10-12-6-2-1-3-7-12/h1-9,13,17-18H,10-11,16H2</moldb-inchi>
  <moldb-inchikey>CKIJJUWZUOYYAR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">242.1419132</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.6</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>CHEM292830</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>2-(2-aminoanilino)-3-phenylpropan-1-ol</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>Phenethylamines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0248326</sync-id>
  <structure-inchikey>CKIJJUWZUOYYAR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000000000180000000000000000100000000000000000a000000000000000000000000000000000000000004000000000000000000000020020000000000000100000000000000000000000000000000002000000000000000001000000000010000000000004000000000000300000000000002000000000000000000000000200000800000000000000080001000000100000080000000000000000000000000000000000000080000000000000000004000000000000000000000000000000000000000000000000000000000008000000000000220000000000000000000000000000040000000000000000000000000000000000001000000</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�������@(�������h���������h���h���h���h���h�����������	��
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� ��h��h��h���h���h��� ��h���h�B���������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:08:01Z</structure-indexed-at>
</compound>
