2-Phenylethylamine; N-(3-Methylbutanoyl) 

AlkaPlorer ID: AK049403

Synonym: 3-Methyl-N-(2-phenylethyl)butanamide, 3-Methyl-N-phenethylbutyramide, N-Phenethylisovaleramide 

IUPAC Name: 3-methyl-N-(2-phenylethyl)butanamide

Structure

SMILES: CC(C)CC(O)=NCCC1=CC=CC=C1

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InChI: InChI=1S/C13H19NO/c1-11(2)10-13(15)14-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,15)

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InChIKey: GIOFEZBLCNCEBN-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 205.301

TPSA: 32.59

MolLogP: 3.231700000000002

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information