benzyl(2,2-dimethylpropyl)amine

• ChemBase ID: 270340
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: N(CC(C)(C)C)Cc1ccccc1
• Canonical SMILES: CC(CNCc1ccccc1)(C)C
• InChI: InChI=1S/C12H19N/c1-12(2,3)10-13-9-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
• InChIKey: WWEAQWSEERPMNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(2,2-dimethylpropyl)amine
• IUPAC Traditional name: benzyl(2,2-dimethylpropyl)amine
• Synonyms: benzyl(2,2-dimethylpropyl)amine

Database IDs

• MDL Number: MFCD12774343
• PubChem SID: 164326250
• PubChem CID: 13258067

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.063364685
• LogD (pH = 7.4): 0.6637406
• Log P: 3.1538987
• Molar Refractivity: 57.4483 cm^3
• Polarizability: 22.984795 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.366

Product Information

• Purity: 95%