benzyl(methyl)[1-(pyridin-2-yl)propan-2-yl]amine

• ChemBase ID: 733334
• Molecular Formular: C16H20N2
• Molecular Mass: 240.3434
• Monoisotopic Mass: 240.16264865
• SMILES: N(C(Cc1ncccc1)C)(Cc1ccccc1)C
• Canonical SMILES: CN(C(Cc1ccccn1)C)Cc1ccccc1
• InChI: InChI=1S/C16H20N2/c1-14(12-16-10-6-7-11-17-16)18(2)13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3
• InChIKey: HDERLWJRYGZXJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(methyl)[1-(pyridin-2-yl)propan-2-yl]amine
• IUPAC Traditional name: benzyl(methyl)[1-(pyridin-2-yl)propan-2-yl]amine
• Synonyms: N-benzyl-N-methyl-1-pyridin-2-ylpropan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.18631877
• LogD (pH = 7.4): 1.2269228
• Log P: 3.156503
• Molar Refractivity: 75.6524 cm^3
• Polarizability: 29.74978 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.88
• LOG S: -1.11
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 5