2-(3-methylphenyl)propan-2-amine

• ChemBase ID: 276988
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: c1(C(N)(C)C)cc(ccc1)C
• Canonical SMILES: Cc1cccc(c1)C(N)(C)C
• InChI: InChI=1S/C10H15N/c1-8-5-4-6-9(7-8)10(2,3)11/h4-7H,11H2,1-3H3
• InChIKey: PIRQFBKWGQLLMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylphenyl)propan-2-amine
• IUPAC Traditional name: 2-(3-methylphenyl)propan-2-amine
• Synonyms: 2-(3-methylphenyl)propan-2-amine

Database IDs

• MDL Number: MFCD09757585
• PubChem SID: 164332898
• PubChem CID: 13025664

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.70923525
• LogD (pH = 7.4): -0.16105373
• Log P: 2.3095872
• Molar Refractivity: 48.6296 cm^3
• Polarizability: 19.207596 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.301

Product Information

• Purity: 95%