<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">327233</id>
  <title nil="true"/>
  <common-name>2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol</common-name>
  <description>2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol is a chemical compound with the formula C21H24F3NO3. It has an average molecular weight of 395.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3087853</pubchem-id>
  <chemical-formula>C21H24F3NO3</chemical-formula>
  <weight>395.4</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">2026-08-30T06:09:46Z</created-at>
  <updated-at type="dateTime">2026-08-30T06:09:46Z</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>COC1=C(C=C2CC(CCC2=C1)NCC(C3=CC=C(C=C3)C(F)(F)F)O)OC</moldb-smiles>
  <moldb-formula>C21H24F3NO3</moldb-formula>
  <moldb-inchi>InChI=1S/C21H24F3NO3/c1-27-19-10-14-5-8-17(9-15(14)11-20(19)28-2)25-12-18(26)13-3-6-16(7-4-13)21(22,23)24/h3-4,6-7,10-11,17-18,25-26H,5,8-9,12H2,1-2H3</moldb-inchi>
  <moldb-inchikey>XAYUYKOPUHCPBY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">395.1708281</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.9</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>CHEM323126</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-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol</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>Tetralins</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0277843</sync-id>
  <structure-inchikey>XAYUYKOPUHCPBY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000002100000000000000000000000000110000400100000000000000000000000000000100000000000000000000000000000000000000000000000000000002000000800000000000000100004000000000000000000000014000000040000000100000000000020000000000000000002000100000000240000000000000000000000080000000000000000000080400080000000000000015000000002400080000000040000000040000000000000000000080000000400000000000008220000000404000000000000000200200000000000000000000000004000040000000000000800000000020000000000000000000</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�B�������
�������	
������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:30:38Z</structure-indexed-at>
</compound>
