1'-Oxomethyleugenol-PEA
1-oxomethyleugenol-PEA.png

1'-Oxomethyleugenol-PEA is an adduct of phenylethylamine and 1'-oxomethyleugenol. This adduct might form in vivo. The closely related 1'-oxoelemicin has been shown to create dimethylamine, piperidine, and pyrrolidine adducts in vivo (see the article 1'-Oxoelemicin for more details).

This adduct might form spontaneously. The very closely related 1'-oxoestragole has been shown to react with a number of amines at room temperature without a catalyst (see the article 1'-Oxoestragole for more details).


See Also


Chemical Properties

Synonyms: 1'-Oxomethyleugenol-phenylethylamine; 1'-ketomethyleugenol-phenylethylamine
ChemSpider ID: 25714066
Molecular Weight: 313.43
Molecular Formula: C19H23NO3
Systematic name: 1-(3,4-dimethoxyphenyl)-3-(2-phenylethylamino)propan-1-one
InChI: InChI=1S/C19H23NO3/c1-22-18-9-8-16(14-19(18)23-2)17(21)11-13-20-12-10-15-6-4-3-5-7-15/h3-9,14,20H,10-13H2,1-2H3
XLogP3: 3.01[1]
Canonical SMILES: O(C1=C(C=C(C=C1)C(=O)CCNCCC2=CC=CC=C2)OC)C

Bibliography
1. Value calculated using Virtual Computational Chemistry Laboratory's online ALOGPS 2.1 program
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