2-phenylethanamine; 1-phenylpropan-1-one

Systemtic Name: 2-phenylethanamine; 1-phenylpropan-1-one Openeye Name: 2-phenylethanamine; 1-phenylpropan-1-one CAS Name: 2-phenylethanamine; 1-phenyl-1-propanone IUPAC Name: 2-phenylethanamine; 1-phenylpropan-1-one Traditional Name: phenethylamine; propiophenone Formula: C17H21NO MolecularWeight: 255.35474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1.C1=CC=C(C=C1)CCN

Isomeric SMILES

CCC(=O)C1=CC=CC=C1.C1=CC=C(C=C1)CCN

InChI

InChI=1S/C9H10O.C8H11N/c1-2-9(10)8-6-4-3-5-7-8;9-7-6-8-4-2-1-3-5-8/h3-7H,2H2,1H3;1-5H,6-7,9H2