329205 <common-name>3-(1-cyclohexyl-3,3-dimethyl-2-benzofuran-1-yl)-n,n-dimethylpropan-1-amine</common-name> <description>3-(1-cyclohexyl-3,3-dimethyl-2-benzofuran-1-yl)-n,n-dimethylpropan-1-amine is a chemical compound with the formula C21H33NO. It has an average molecular weight of 315.50 g/mol.</description> <cas nil="true"/> <pubchem-id>3047902</pubchem-id> <chemical-formula>C21H33NO</chemical-formula> <weight>315.5</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">2026-08-30T09:20:11Z</created-at> <updated-at type="dateTime">2026-08-30T09:20:11Z</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(C2=CC=CC=C2C(O1)(CCCN(C)C)C3CCCCC3)C</moldb-smiles> <moldb-formula>C21H33NO</moldb-formula> <moldb-inchi>InChI=1S/C21H33NO/c1-20(2)18-13-8-9-14-19(18)21(23-20,15-10-16-22(3)4)17-11-6-5-7-12-17/h8-9,13-14,17H,5-7,10-12,15-16H2,1-4H3</moldb-inchi> <moldb-inchikey>YFWSLZRNQYIVFI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">315.2562147</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>CHEM325098</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>3-(1-cyclohexyl-3,3-dimethyl-2-benzofuran-1-yl)-n,n-dimethylpropan-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>Organoheterocyclic compounds</superklass> <klass>Isocoumarans</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0279775</sync-id> <structure-inchikey>YFWSLZRNQYIVFI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000400000000000800000000000000000400000000000000000000000000000000000000000080001400000000000000000000000000000000000000000000080000000000000000000000000000008800000000400000000000000000000000010000000000000000000005020000000020000200000000000000000100800000048000000800000000000000000100000000100000000000000000020000000000004000000000000080000000000000000000802080000000000000000000000000000000000000000000040000000000000000020000200080000000000000000000000000040000000010000000001000000080000000000000000</structure-fingerprint> <structure-pattern-fingerprint>701442008116824080000b64112820001100140001052000003520408220484c44220050138000000100410840c0800005200225608c32010022643900a04000c7110c081290040000901060026202200804858151211f32500405624022d1040c2805270048020060008480ddb40000208680508101e0041118247002510002404400084ef8820808060240882c0008391c8852440016820020082020c0008400d3100000b3c00006000968017d27102ac004038943084018a042100cc00212e01000a40490003301804480351102804c050010030050200d2002042a00030091104810088100000000040151122084081004309042000e1100110052800002</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� �����@(������@h�������@h�������@h�������@h�������@(������� ������ ������`�������`�������`������� ������`�������`�������`�������`�������`�������`�������`�������`�������`��������������h���h���h���h���h����� �� � ������ � �� ����������������������� ����h����B��������� ������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:32:05Z</structure-indexed-at> </compound>