{[2-(2,4-difluorophenoxy)pyridin-3-yl]methyl}[(6-methylpyridin-2-yl)methyl]amine

• ChemBase ID: 336420
• Molecular Formular: C19H17F2N3O
• Molecular Mass: 341.3545864
• Monoisotopic Mass: 341.13396862
• SMILES: c1(Oc2c(cc(cc2)F)F)c(CNCc2nc(ccc2)C)cccn1
• Canonical SMILES: Fc1ccc(c(c1)F)Oc1ncccc1CNCc1cccc(n1)C
• InChI: InChI=1S/C19H17F2N3O/c1-13-4-2-6-16(24-13)12-22-11-14-5-3-9-23-19(14)25-18-8-7-15(20)10-17(18)21/h2-10,22H,11-12H2,1H3
• InChIKey: XCZONPCQPWMFOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(2,4-difluorophenoxy)pyridin-3-yl]methyl}[(6-methylpyridin-2-yl)methyl]amine
• IUPAC Traditional name: {[2-(2,4-difluorophenoxy)pyridin-3-yl]methyl}[(6-methylpyridin-2-yl)methyl]amine
• Synonyms: 1-[2-(2,4-difluorophenoxy)-3-pyridinyl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7128409
• LogD (pH = 7.4): 3.199663
• Log P: 3.4137135
• Molar Refractivity: 90.6612 cm^3
• Polarizability: 34.749924 Å^3
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.36
• LOG S: -4.76
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 6