[(3,5-dichloropyridin-4-yl)methyl](methyl)[1-(4-methylpyridin-2-yl)propan-2-yl]amine

• ChemBase ID: 370648
• Molecular Formular: C16H19Cl2N3
• Molecular Mass: 324.24816
• Monoisotopic Mass: 323.09560298
• SMILES: c1(CN(C(Cc2nccc(c2)C)C)C)c(Cl)cncc1Cl
• Canonical SMILES: CN(C(Cc1nccc(c1)C)C)Cc1c(Cl)cncc1Cl
• InChI: InChI=1S/C16H19Cl2N3/c1-11-4-5-20-13(6-11)7-12(2)21(3)10-14-15(17)8-19-9-16(14)18/h4-6,8-9,12H,7,10H2,1-3H3
• InChIKey: WNSOKWVWDRRFBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,5-dichloropyridin-4-yl)methyl](methyl)[1-(4-methylpyridin-2-yl)propan-2-yl]amine
• IUPAC Traditional name: [(3,5-dichloropyridin-4-yl)methyl](methyl)[1-(4-methylpyridin-2-yl)propan-2-yl]amine
• Synonyms: N-[(3,5-dichloropyridin-4-yl)methyl]-N-methyl-1-(4-methylpyridin-2-yl)propan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2329664
• LogD (pH = 7.4): 3.5483155
• Log P: 3.6603413
• Molar Refractivity: 88.1463 cm^3
• Polarizability: 34.317333 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.43
• LOG S: -2.18
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 5