<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">342971</id>
  <title nil="true"/>
  <common-name>2-[cyclopropylmethyl-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-(4-methylphenyl)ethanol</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3087875</pubchem-id>
  <chemical-formula>C25H33NO3</chemical-formula>
  <weight>395.5</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">2026-08-31T04:11:55Z</created-at>
  <updated-at type="dateTime">2026-08-31T04:11:55Z</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(CN(CC2CC2)C3CCC4=CC(=C(C=C4C3)OC)OC)O</moldb-smiles>
  <moldb-formula>C25H33NO3</moldb-formula>
  <moldb-inchi>InChI=1S/C25H33NO3/c1-17-4-8-19(9-5-17)23(27)16-26(15-18-6-7-18)22-11-10-20-13-24(28-2)25(29-3)14-21(20)12-22/h4-5,8-9,13-14,18,22-23,27H,6-7,10-12,15-16H2,1-3H3</moldb-inchi>
  <moldb-inchikey>BNWJCCHCGYDYRW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">395.2460439</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.6</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>CHEM338864</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-[cyclopropylmethyl-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-(4-methylphenyl)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>CED0293354</sync-id>
  <structure-inchikey>BNWJCCHCGYDYRW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000004000000000000800000000000000000000200000000000000111000400100000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000100004000000000000000000008014000002040040000104000000000020000000000000000000000102000000040000000000000000000000000000000000000000000080400000000040000000007000000002400080000000000000000000400000000000000000080000000000000000000000200000000014000000000002000200200000000000000000100000004080040000000000080000000000020000000000000000000</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">2026-09-19T05:42:27Z</structure-indexed-at>
</compound>
