<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">328410</id>
  <title nil="true"/>
  <common-name>3-(1-cyclopropylethylamino)-2-methyl-1,1-diphenylpropan-1-ol</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>215440</pubchem-id>
  <chemical-formula>C21H27NO</chemical-formula>
  <weight>309.4</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">2026-08-30T08:16:33Z</created-at>
  <updated-at type="dateTime">2026-08-30T08:16:33Z</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(CNC(C)C1CC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O</moldb-smiles>
  <moldb-formula>C21H27NO</moldb-formula>
  <moldb-inchi>InChI=1S/C21H27NO/c1-16(15-22-17(2)18-13-14-18)21(23,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,16-18,22-23H,13-15H2,1-2H3</moldb-inchi>
  <moldb-inchikey>GVKHXSBGOKONNZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">309.2092645</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>CHEM324303</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>3-(1-cyclopropylethylamino)-2-methyl-1,1-diphenylpropan-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>Diphenylmethanes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0279002</sync-id>
  <structure-inchikey>GVKHXSBGOKONNZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>44000020000000000000800000002000040000000000008000000000000020000000001000000000000000000000000004000000000000000800000000000000004000000000000000000002000000000000000000000000000000000000000000020000010000000000000000000000000000020004000000000000000000100000000040000000800002000000000080000000200100000000000000000000000000000004000000000000080000000041000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000040000000080000000000000000200000000040000000</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���h���h���h���h�	������
h���h�B�������������
�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:31:30Z</structure-indexed-at>
</compound>
