2-methyl-1-phenylpropan-1-amine

• ChemBase ID: 250023
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: C(c1ccccc1)(N)C(C)C
• Canonical SMILES: NC(c1ccccc1)C(C)C
• InChI: InChI=1S/C10H15N/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8,10H,11H2,1-2H3
• InChIKey: UVXXBSCXKKIBCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-phenylpropan-1-amine
• IUPAC Traditional name: 2-methyl-1-phenylpropan-1-amine
• Synonyms: 2-methyl-1-phenylpropan-1-amine; (2-methyl-1-phenylpropyl)amine

Database IDs

• CAS Number: 6668-27-5
• MDL Number: MFCD07339051
• PubChem SID: 164305933
• PubChem CID: 4962875

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6083901
• LogD (pH = 7.4): 0.07271704
• Log P: 2.4030845
• Molar Refractivity: 47.9458 cm^3
• Polarizability: 19.290466 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 250 - 254°C
• Hydrophobicity(logP): 2.331

Product Information

• Purity: 95%