(2-amino-2-methylpropyl)(benzyl)methylamine

• ChemBase ID: 242833
• Molecular Formular: C12H20N2
• Molecular Mass: 192.3006
• Monoisotopic Mass: 192.16264865
• SMILES: N(CC(N)(C)C)(Cc1ccccc1)C
• Canonical SMILES: CN(Cc1ccccc1)CC(N)(C)C
• InChI: InChI=1S/C12H20N2/c1-12(2,13)10-14(3)9-11-7-5-4-6-8-11/h4-8H,9-10,13H2,1-3H3
• InChIKey: KEVBULSQPZAIAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-2-methylpropyl)(benzyl)methylamine
• IUPAC Traditional name: (2-amino-2-methylpropyl)(benzyl)methylamine
• Synonyms: (2-amino-2-methylpropyl)(benzyl)methylamine

Database IDs

• MDL Number: MFCD11585396
• PubChem SID: 164298743
• PubChem CID: 10352573

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0004287
• LogD (pH = 7.4): -0.8722411
• Log P: 1.8148105
• Molar Refractivity: 61.6075 cm^3
• Polarizability: 24.497896 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.241

Product Information

• Purity: 95%