1'-Oxoestragole-PEA
1-oxoestragole-PEA.png

1'-Oxoestragole-PEA is an adduct of phenylethylamine and 1'-oxoestragole. It might be possible that this adduct forms spontaneously in vivo from the endogenous amine phenylethylamine. 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).


Chemical Properties

Synonyms: 1'-ketoestragole-phenylethylamine; 1'-Oxoestragole-phenylethylamine; 1-(4-Methoxyphenyl)-3-(2-phenylethylamino)propan-1-one; 1-(4-Methoxyphenyl)-3-[(2-phenylethyl)amino]-1-propanone; 1-(4-methoxyphenyl)-3-(phenethylamino)propan-1-one; 1-(4-methoxyphenyl)-3-[(2-phenylethyl)amino]propan-1-one
ChemSpider Compound ID: 81608
PubChem Compound ID: 90393
Molecular Weight: 283.36484 [g/mol]
Molecular Formula: C18H21NO2
XLogP3-AA: 3
H-Bond Donor: 1
H-Bond Acceptor: 3
IUPAC Name: 1-(4-methoxyphenyl)-3-(2-phenylethylamino)propan-1-one
InChI: InChI=1S/C18H21NO2/c1-21-17-9-7-16(8-10-17)18(20)12-14-19-13-11-15-5-3-2-4-6-15/h2-10,19H,11-14H2,1H3
InChIKey: XILYSWQJFMOBQX-UHFFFAOYSA-N
Canonical SMILES: COC1=CC=C(C=C1)C(=O)CCNCCC2=CC=CC=C2


See Also

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