[(6-chloropyridin-3-yl)methyl](methyl)(2-phenylethyl)amine

• ChemBase ID: 507870
• Molecular Formular: C15H17ClN2
• Molecular Mass: 260.76188
• Monoisotopic Mass: 260.10802623
• SMILES: n1c(Cl)ccc(c1)CN(CCc1ccccc1)C
• Canonical SMILES: CN(Cc1ccc(nc1)Cl)CCc1ccccc1
• InChI: InChI=1S/C15H17ClN2/c1-18(10-9-13-5-3-2-4-6-13)12-14-7-8-15(16)17-11-14/h2-8,11H,9-10,12H2,1H3
• InChIKey: UMKINMOIPJIZQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(6-chloropyridin-3-yl)methyl](methyl)(2-phenylethyl)amine
• IUPAC Traditional name: [(6-chloropyridin-3-yl)methyl](methyl)(2-phenylethyl)amine
• Synonyms: N-[(6-chloropyridin-3-yl)methyl]-N-methyl-2-phenylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.4753051
• LogD (pH = 7.4): 2.165352
• Log P: 3.5343263
• Molar Refractivity: 77.6775 cm^3
• Polarizability: 29.774435 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: 3.37
• LOG S: -2.98
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 5