1-[3-(aminomethyl)-5-methyl-4-oxidanyl-phenyl]butan-1-one

Systemtic Name: 1-[3-(aminomethyl)-5-methyl-4-oxidanyl-phenyl]butan-1-one Openeye Name: 1-[3-(aminomethyl)-4-hydroxy-5-methyl-phenyl]butan-1-one CAS Name: 1-[3-(aminomethyl)-4-hydroxy-5-methylphenyl]-1-butanone IUPAC Name: 1-[3-(aminomethyl)-4-hydroxy-5-methylphenyl]butan-1-one Traditional Name: 1-[3-(aminomethyl)-4-hydroxy-5-methyl-phenyl]butan-1-one Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=C(C(=C1)CN)O)C

Isomeric SMILES

CCCC(=O)C1=CC(=C(C(=C1)CN)O)C

InChI

InChI=1S/C12H17NO2/c1-3-4-11(14)9-5-8(2)12(15)10(6-9)7-13/h5-6,15H,3-4,7,13H2,1-2H3