<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">324096</id>
  <title nil="true"/>
  <common-name>2-methyl-1-phenyl-n-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine</common-name>
  <description>2-methyl-1-phenyl-n-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine is a compound with the formula C20H27NO3. It has an average molecular weight of 329.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3052059</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">2026-08-30T01:02:29Z</created-at>
  <updated-at type="dateTime">2026-08-30T01:02:29Z</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(C)(CC1=CC=CC=C1)NCC2=CC(=C(C(=C2)OC)OC)OC</moldb-smiles>
  <moldb-formula>C20H27NO3</moldb-formula>
  <moldb-inchi>InChI=1S/C20H27NO3/c1-20(2,13-15-9-7-6-8-10-15)21-14-16-11-17(22-3)19(24-5)18(12-16)23-4/h6-12,21H,13-14H2,1-5H3</moldb-inchi>
  <moldb-inchikey>MJUSWELXLMJLOS-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>3.8</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>CHEM319989</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-methyl-1-phenyl-n-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine</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>CED0274756</sync-id>
  <structure-inchikey>MJUSWELXLMJLOS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>804000002000000000000000000000000000000000410000002000000000000400000000000004800000000000000000000200000000000000000000000000000000000001000000000000010100000000000000000000000000000000000040000000100080000000000000000000000000000000001800000240200000800000000000000080000000000100000000000000000000000000000000000000000000080000000000000000000000000000000000000080000000000000010000000000000000010000000001000000000220000000000000000000000000000040000800000000000000000020000000000000000000</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��
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������h��h���h���h���h��� ����� ����� ���	�h���h�B���������	�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:28:22Z</structure-indexed-at>
</compound>
