benzyl(2-methylpropyl)amine

• ChemBase ID: 255564
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: N(Cc1ccccc1)CC(C)C
• Canonical SMILES: CC(CNCc1ccccc1)C
• InChI: InChI=1S/C11H17N/c1-10(2)8-12-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
• InChIKey: ZELJLECFTLYULH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(2-methylpropyl)amine
• IUPAC Traditional name: benzyl(2-methylpropyl)amine
• Synonyms: N-benzyl-2-methylpropan-1-amine; N-benzyl-2-methyl-1-propanamine; benzyl(2-methylpropyl)amine

Database IDs

• CAS Number: 42882-36-0
• MDL Number: MFCD00972061
• PubChem SID: 164311474
• PubChem CID: 211729

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.44614986
• LogD (pH = 7.4): 0.20879701
• Log P: 2.7758977
• Molar Refractivity: 53.0502 cm^3
• Polarizability: 21.137878 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.967

Product Information

• Purity: 95%