313784 <common-name>N,n-dimethyl-4-(2-phenylsulfanylphenoxy)butan-1-amine</common-name> <description>N,n-dimethyl-4-(2-phenylsulfanylphenoxy)butan-1-amine is a chemical compound with the formula C18H23NOS. It has an average molecular weight of 301.40 g/mol.</description> <cas nil="true"/> <pubchem-id>3046508</pubchem-id> <chemical-formula>C18H23NOS</chemical-formula> <weight>301.4</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">2026-08-29T10:38:46Z</created-at> <updated-at type="dateTime">2026-08-29T10:38:46Z</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>CN(C)CCCCOC1=CC=CC=C1SC2=CC=CC=C2</moldb-smiles> <moldb-formula>C18H23NOS</moldb-formula> <moldb-inchi>InChI=1S/C18H23NOS/c1-19(2)14-8-9-15-20-17-12-6-7-13-18(17)21-16-10-4-3-5-11-16/h3-7,10-13H,8-9,14-15H2,1-2H3</moldb-inchi> <moldb-inchikey>MPTIXZDKASPALQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">301.1500355</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.7</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>CHEM309677</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-4-(2-phenylsulfanylphenoxy)butan-1-amine</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>Organosulfur compounds</superklass> <klass>Thioethers</klass> <subklass>Aryl thioethers</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0264683</sync-id> <structure-inchikey>MPTIXZDKASPALQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400100000000000008000000008000000000000000000000000000000000000000000000000000000000000000040040000000000000000000000000000000000000000800000001000000000000000080000000005000000000000000000000000000010000000000000000040000000000000002000000000000000000040000000400000008800000000000000001000000001000000000000400000000000000000000000000000000800000020000000000a0000000000000002000000000000000000000000000000000000040000000000000000000200000000000020000000000000000040000000010000000001000020000000000000000000</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� �h���h�B������ �� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:20:22Z</structure-indexed-at> </compound>