3-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one

3-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one is the dimethylamine alkaloid form of the allylbenzene methyl chavicol. This is a possible metabolite of methyl chavicol. Similar metabolites are proven to form in vivo for safrole, elemicin, and several other allylbenzenes (see their individual articles for references).
See Also
Chemical Properties
Synonyms: 1'-oxoestragole-DMA; 1'-oxoestragole-dimethylamine
PubChem Compound ID: 78911
Molecular Weight: 207.26888 [g/mol]
Molecular Formula: C12H17NO2
XLogP3-AA: 1.5
IUPAC Name: 3-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one
InChI: InChI=1S/C12H17NO2/c1-13(2)9-8-12(14)10-4-6-11(15-3)7-5-10/h4-7H,8-9H2,1-3H3
InChIKey: OFNZCNMFQSONGW-UHFFFAOYSA-N
Canonical SMILES: CN(C)CCC(=O)C1=CC=C(C=C1)OC
page revision: 7, last edited: 05 Mar 2013 01:42