46969 <common-name>Amphetamine, ethyl</common-name> <description>Amphetamine, ethyl belongs to the phenethylamines, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C11H17N and an average molecular weight of 163.26 g/mol.</description> <cas>457-87-4</cas> <pubchem-id>9982</pubchem-id> <chemical-formula>C11H17N</chemical-formula> <weight>163.26</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">2016-06-03T13:46:12Z</created-at> <updated-at type="dateTime">2026-08-18T11:55:24Z</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>DB13285</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>CCNC(C)CC1=CC=CC=C1</moldb-smiles> <moldb-formula>C11H17N</moldb-formula> <moldb-inchi>InChI=1S/C11H17N/c1-3-12-10(2)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3</moldb-inchi> <moldb-inchikey>YAGBSNMZQKEFCO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">163.264</moldb-average-mass> <moldb-mono-mass type="decimal">163.136099551</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.59</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>9588</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>CHEM045864</chemdb-id> <dsstox-id>DTXSID10860359</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>NIVA/Waters</stoff-ident-origin> <stoff-ident-id>SI00009155</stoff-ident-id> <susdat-id>NS00009223</susdat-id> <iupac>ethyl(1-phenylpropan-2-yl)amine</iupac> <moldb-polar-surface-area>12.03</moldb-polar-surface-area> <moldb-refractivity>53.2284</moldb-refractivity> <moldb-polarizability>20.27366366602392</moldb-polarizability> <moldb-rotatable-bond-count>4</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>10.291155815405018</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.73</moldb-alogps-logp> <moldb-alogps-logs>-2.77</moldb-alogps-logs> <moldb-alogps-solubility>2.77e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Phenethylamines</subklass> <paper-count type="integer">4899</paper-count> <sync-id>CED0004419</sync-id> <structure-inchikey>YAGBSNMZQKEFCO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000001800000000000000000001000000000000000000000000000001802000000000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000004000000000000000000000000000000000000000000000000040200000800000000000000080000000000100000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000280000220000000000000000000000000000040000000000000000000000800000000000020000000</structure-fingerprint> <structure-pattern-fingerprint>200000000000000002000000000000004000000200040020000044000004000800000000001000080000004200020000c30010000443000a0000084110000020000004080100000620000000001004000011200000420000000000c2004040000020000000000500000002000801001000004111800000011000200400000044000000800000008080008100c00024400008000000800000000000003000000004000000008000034201002c0000000410840000000000000021000000004040000000180020000400200000000000000400000000000080100000000080000010000004000000002200000000010004000220000000052000002</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAADAAAAIABBgBgAAAAAQMGAGAAAAAC AgcAYAAAAAIBBgBgAAAAAwEGAGAAAAABAwYAYAAAAAICBkAoAAAAAwQGQGgA AAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwELAAEA AQIAAgMAAwQAAwUABQYABgdoDAcIaAwICWgMCQpoDAoLaAwLBmgMQgEAAAAG BgsKCQgHFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:13:52Z</structure-indexed-at> </compound>