<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">324103</id>
  <title nil="true"/>
  <common-name>1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol</common-name>
  <description>1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol is a chemical compound with the formula C20H27NO3. It has an average molecular weight of 329.40 g/mol.</description>
  <cas>135963-42-7</cas>
  <pubchem-id>3070706</pubchem-id>
  <chemical-formula>C20H27NO3</chemical-formula>
  <weight>329.4</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">2026-08-30T01:03:08Z</created-at>
  <updated-at type="dateTime">2026-08-30T01:03:08Z</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)CC(COC1=CC=CC=C1CCC2=CC(=CC=C2)OC)O</moldb-smiles>
  <moldb-formula>C20H27NO3</moldb-formula>
  <moldb-inchi>InChI=1S/C20H27NO3/c1-21(2)14-18(22)15-24-20-10-5-4-8-17(20)12-11-16-7-6-9-19(13-16)23-3/h4-10,13,18,22H,11-12,14-15H2,1-3H3</moldb-inchi>
  <moldb-inchikey>VNRNJNRVACIMAP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">329.1990937</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.5</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>CHEM319996</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>1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-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>Phenylpropanoids and polyketides</superklass>
  <klass>Stilbenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0274763</sync-id>
  <structure-inchikey>VNRNJNRVACIMAP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000800200000000000000000000000000100000000000000000000000200000000000000000000000000000000000000000001000000000000001200008000000000000000008200000000100000000002000000000040020010000000040000000104000000000000000000000000000000000000001000040200000800004000000000000100000000100000000001000000000000000000000000004400000080000002000000000080000000000000000000080000000000000040000000000000000000000000000000000000220000000000000000000000000080040000020000000000000000028000000000000800200</structure-fingerprint>
  <structure-pattern-fingerprint>501000000132024080000900010820000000040804052000003520400200080c40020050008000000000410800800000042100a5408c30010020643000a04000c6110c00028006000090100000620000000405805001013240000622000041000c200526004082000000040055340001200080500101e0041118000002510002504000080ee0800808020240082c0008111c0812440014820000080000400080004310001010c00000000848017c25100ac00000894108401000020008c002100010008404000032018000000401028000000000020050000d0000000800030000000a10000100000000000240922004001020308042800e0000010052000002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������`�������(������@(������@h�������@h�������@h�������@h�������@(�������`�������`������@(������@h�������@(������@h�������@h�������@h��������(�������`�������`�������������������������� ��h��	h�	
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	������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:28:22Z</structure-indexed-at>
</compound>
