43979 <common-name>prenylamine</common-name> <description nil="true"/> <cas>390-64-7</cas> <pubchem-id>9801</pubchem-id> <chemical-formula>C24H27N</chemical-formula> <weight nil="true"/> <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">2016-06-03T10:21:33Z</created-at> <updated-at type="dateTime">2026-05-14T18:10:44Z</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>DB04825</drugbank-id> <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>CC(CC1=CC=CC=C1)NCCC(C1=CC=CC=C1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C24H27N</moldb-formula> <moldb-inchi>InChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3</moldb-inchi> <moldb-inchikey>IFFPICMESYHZPQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">329.4779</moldb-average-mass> <moldb-mono-mass type="decimal">329.214349869</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.12</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>9418</chemspider-id> <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>CHEM042874</chemdb-id> <dsstox-id>DTXSID0048555</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>Oberacher 2011</stoff-ident-origin> <stoff-ident-id>SI00001415</stoff-ident-id> <susdat-id>NS00009915</susdat-id> <iupac>(3,3-diphenylpropyl)(1-phenylpropan-2-yl)amine</iupac> <moldb-polar-surface-area>12.03</moldb-polar-surface-area> <moldb-refractivity>107.09200000000006</moldb-refractivity> <moldb-polarizability>39.764886264546746</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>10.48113787755236</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>5.89</moldb-alogps-logp> <moldb-alogps-logs>-6.97</moldb-alogps-logs> <moldb-alogps-solubility>3.54e-05 g/l</moldb-alogps-solubility> </compound>