317694 <common-name>N,n-dimethyl-2-[1-(2-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine</common-name> <description>N,n-dimethyl-2-[1-(2-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine is a chemical compound with the formula C19H21N3O2. It has an average molecular weight of 323.40 g/mol.</description> <cas nil="true"/> <pubchem-id>3068652</pubchem-id> <chemical-formula>C19H21N3O2</chemical-formula> <weight>323.4</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">2026-08-29T15:52:40Z</created-at> <updated-at type="dateTime">2026-08-29T15:52:40Z</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)CCC1CC2=CC=CC=C2C(=N1)C3=CC=CC=C3[N+](=O)[O-]</moldb-smiles> <moldb-formula>C19H21N3O2</moldb-formula> <moldb-inchi>InChI=1S/C19H21N3O2/c1-21(2)12-11-15-13-14-7-3-4-8-16(14)19(20-15)17-9-5-6-10-18(17)22(23)24/h3-10,15H,11-13H2,1-2H3</moldb-inchi> <moldb-inchikey>QDKPZYDYKFANAQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">323.1633769</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.6</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>CHEM313587</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-[1-(2-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]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>Organoheterocyclic compounds</superklass> <klass>Dihydroisoquinolines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0268508</sync-id> <structure-inchikey>QDKPZYDYKFANAQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000020000000000000080000000000000001000000000000000000000000000000a002002000000000000000000000000000100000000000000000000000000000000080000028000000000400001808000000400800000000000000008200020000004000000000020000000000000080000200100000000040040000800000000000000000100000001100000000080000000000000000000000000000000000080001000000000000000000000000000000000000000000000000000800000000000000000000000008000000000200000000000000000000000000000040008080000000000001001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������`�������`������@(������@h�������@h�������@h�������@h�������@(�������(�������(������@(������@h�������@h�������@h�������@h�������@(������ *��������(������ *���ÿ��������������������������h�� h� h� �h���h�� �(� � ��h���h���h���h���h��� ��(��� �����h���h�B������� ����� ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:23:26Z</structure-indexed-at> </compound>