312531 <common-name>2-[(2-fluoro-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)sulfanyl]-n,n-dimethylethanamine</common-name> <description>2-[(2-fluoro-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)sulfanyl]-n,n-dimethylethanamine is a chemical compound with the formula C18H20FNOS. It has an average molecular weight of 317.40 g/mol.</description> <cas>87673-19-6</cas> <pubchem-id>3071312</pubchem-id> <chemical-formula>C18H20FNOS</chemical-formula> <weight>317.4</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">2026-08-29T09:02:42Z</created-at> <updated-at type="dateTime">2026-08-29T09:02:42Z</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)CCSC1C2=CC=CC=C2COC3=C1C=C(C=C3)F</moldb-smiles> <moldb-formula>C18H20FNOS</moldb-formula> <moldb-inchi>InChI=1S/C18H20FNOS/c1-20(2)9-10-22-18-15-6-4-3-5-13(15)12-21-17-8-7-14(19)11-16(17)18/h3-8,11,18H,9-10,12H2,1-2H3</moldb-inchi> <moldb-inchikey>RXOBLBSOVQKCMX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">317.1249636</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.7</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>CHEM308424</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-[(2-fluoro-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)sulfanyl]-n,n-dimethylethanamine</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>Benzoxepines</klass> <subklass>Dibenzoxepines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0263461</sync-id> <structure-inchikey>RXOBLBSOVQKCMX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000800000000000000000000000000000000000000000004000000000000000000180000000000000000400000000000000000000000000000000000000000400000000008800000000410000000000000000000000000000000000000000000104000000000020000000000000000000000101010000040000800800000000000000000100002000100000000080000000000000000000000000000000000080000002400000000000000000100400000000000000000000000000000000000000000020000000008200000002200000000000000000000000000000040000000400000800001000000500000000020080000</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���h�B�������� ����� ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:19:28Z</structure-indexed-at> </compound>