<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">324051</id>
  <title nil="true"/>
  <common-name>N,n-dimethyl-2-[phenyl-(2,4,6-trimethylphenyl)methoxy]ethanamine</common-name>
  <description>N,n-dimethyl-2-[phenyl-(2,4,6-trimethylphenyl)methoxy]ethanamine is a chemical compound with the formula C20H27NO. It has an average molecular weight of 297.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>45378</pubchem-id>
  <chemical-formula>C20H27NO</chemical-formula>
  <weight>297.4</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">2026-08-30T00:58:17Z</created-at>
  <updated-at type="dateTime">2026-08-30T00:58:17Z</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>CC1=CC(=C(C(=C1)C)C(C2=CC=CC=C2)OCCN(C)C)C</moldb-smiles>
  <moldb-formula>C20H27NO</moldb-formula>
  <moldb-inchi>InChI=1S/C20H27NO/c1-15-13-16(2)19(17(3)14-15)20(22-12-11-21(4)5)18-9-7-6-8-10-18/h6-10,13-14,20H,11-12H2,1-5H3</moldb-inchi>
  <moldb-inchikey>CRYYVXVCECPCES-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">297.2092645</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.5</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>CHEM319944</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>N,n-dimethyl-2-[phenyl-(2,4,6-trimethylphenyl)methoxy]ethanamine</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>CED0274712</sync-id>
  <structure-inchikey>CRYYVXVCECPCES-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40040000000000000000800002000000000000000000000000080000000000000000000000000008000010000000000004000000000000000000000000000000000000000000000000000000000000000008000000000500000000000000000000000000000000000000000000104000000008000000000000000000000000000000000040000000800000000000000000100000000100000000000000000000000020000002000000000400080100000000000000000000000000000000000000000000000400000000002000000000000000000000002100000200000000000000000100001000000040000000000000080001400000000000000000000000</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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  <structure-indexed-at type="dateTime">2026-09-19T05:28:20Z</structure-indexed-at>
</compound>
