<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">323591</id>
  <title nil="true"/>
  <common-name>2-[2-[2-(4-methoxyphenyl)cyclopropyl]phenoxy]-n,n-dimethylethanamine</common-name>
  <description>2-[2-[2-(4-methoxyphenyl)cyclopropyl]phenoxy]-n,n-dimethylethanamine is a compound with the formula C20H25NO2. It has an average molecular weight of 311.40 g/mol.</description>
  <cas>40603-40-5</cas>
  <pubchem-id>218447</pubchem-id>
  <chemical-formula>C20H25NO2</chemical-formula>
  <weight>311.4</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">2026-08-30T00:21:08Z</created-at>
  <updated-at type="dateTime">2026-08-30T00:21:08Z</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>CN(C)CCOC1=CC=CC=C1C2CC2C3=CC=C(C=C3)OC</moldb-smiles>
  <moldb-formula>C20H25NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C20H25NO2/c1-21(2)12-13-23-20-7-5-4-6-17(20)19-14-18(19)15-8-10-16(22-3)11-9-15/h4-11,18-19H,12-14H2,1-3H3</moldb-inchi>
  <moldb-inchikey>VQHQAHNSRLWOKX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">311.188529</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4</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>CHEM319484</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-[2-(4-methoxyphenyl)cyclopropyl]phenoxy]-n,n-dimethylethanamine</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>Phenylpropanoids and polyketides</superklass>
  <klass>Stilbenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0274267</sync-id>
  <structure-inchikey>VQHQAHNSRLWOKX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000000000008000000000000000000000000000000000000000000000000000000000002000000000001000000000000000000001000000000000000000000000000000000000000000000000080000000005000002000000000000000400000000000100400000000040000000040200000000000000000000001010000000400000008000000000000000001000000001000000000000000000010008a0000000000000000000080000002000000000880040000000000002000080000000000010000000000000000000000000000000000000000200000000000010100000010000000040000000000000000001000020000000000000000000</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�	
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	����������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:27:58Z</structure-indexed-at>
</compound>
