<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">327168</id>
  <title nil="true"/>
  <common-name>[2-[2-[3-(thiophen-2-ylmethylamino)propyl]phenyl]phenyl]methanol</common-name>
  <description>[2-[2-[3-(thiophen-2-ylmethylamino)propyl]phenyl]phenyl]methanol is a chemical compound with the formula C21H23NOS. It has an average molecular weight of 337.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>215407</pubchem-id>
  <chemical-formula>C21H23NOS</chemical-formula>
  <weight>337.5</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">2026-08-30T06:02:45Z</created-at>
  <updated-at type="dateTime">2026-08-30T06:02:45Z</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)CCCNCC2=CC=CS2)C3=CC=CC=C3CO</moldb-smiles>
  <moldb-formula>C21H23NOS</moldb-formula>
  <moldb-inchi>InChI=1S/C21H23NOS/c23-16-18-8-2-4-12-21(18)20-11-3-1-7-17(20)9-5-13-22-15-19-10-6-14-24-19/h1-4,6-8,10-12,14,22-23H,5,9,13,15-16H2</moldb-inchi>
  <moldb-inchikey>JSTBSLFOXBECRE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">337.1500355</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.1</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>CHEM323061</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-[3-(thiophen-2-ylmethylamino)propyl]phenyl]phenyl]methanol</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>Biphenyls and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0277780</sync-id>
  <structure-inchikey>JSTBSLFOXBECRE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000800000000000000000000000000008000002000040010000000000000000000000008000000100000000000000000000000000000000000000000000000000000000000000000000801010000000000000000000000010000000010000000408000000000000000000000000000000000080000800000000000000000000800000000000000080000002000100000000041000800000000000000000000004000000080000000002000000000000000000000000010000000001040000050000000000000000000000000000000000000201000000000000000000000000000040000000010000000000000000000200000000000000</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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  <structure-indexed-at type="dateTime">2026-09-19T05:30:36Z</structure-indexed-at>
</compound>
