1-(4-methylphenyl)propan-2-amine

• ChemBase ID: 125444
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: NC(Cc1ccc(cc1)C)C
• Canonical SMILES: CC(Cc1ccc(cc1)C)N
• InChI: InChI=1S/C10H15N/c1-8-3-5-10(6-4-8)7-9(2)11/h3-6,9H,7,11H2,1-2H3
• InChIKey: ZDHZDWSHLNBTEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methylphenyl)propan-2-amine
• IUPAC Traditional name: 4-methylamphetamine
• Synonyms: 4-Methylamphetamine

Database IDs

• CAS Number: 22683-78-9
• PubChem SID: 162219794
• PubChem CID: 199116
• CHEMBL: 166183
• Chemspider ID: 172349
• Wikipedia Title: 4-Methylamphetamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7020011
• LogD (pH = 7.4): -0.17240587
• Log P: 2.3176718
• Molar Refractivity: 48.7464 cm^3
• Polarizability: 19.128872 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true