{[4-(difluoromethoxy)phenyl]methyl}({[2-(2-methylphenoxy)pyridin-3-yl]methyl})amine

• ChemBase ID: 723517
• Molecular Formular: C21H20F2N2O2
• Molecular Mass: 370.3925064
• Monoisotopic Mass: 370.14928433
• SMILES: c1(Oc2c(C)cccc2)c(CNCc2ccc(OC(F)F)cc2)cccn1
• Canonical SMILES: FC(Oc1ccc(cc1)CNCc1cccnc1Oc1ccccc1C)F
• InChI: InChI=1S/C21H20F2N2O2/c1-15-5-2-3-7-19(15)27-20-17(6-4-12-25-20)14-24-13-16-8-10-18(11-9-16)26-21(22)23/h2-12,21,24H,13-14H2,1H3
• InChIKey: CNCFDKIQTUJDLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[4-(difluoromethoxy)phenyl]methyl}({[2-(2-methylphenoxy)pyridin-3-yl]methyl})amine
• IUPAC Traditional name: {[4-(difluoromethoxy)phenyl]methyl}({[2-(2-methylphenoxy)pyridin-3-yl]methyl})amine
• Synonyms: 1-[4-(difluoromethoxy)phenyl]-N-{[2-(2-methylphenoxy)-3-pyridinyl]methyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8088844
• LogD (pH = 7.4): 4.535992
• Log P: 5.4156485
• Molar Refractivity: 99.8293 cm^3
• Polarizability: 38.227856 Å^3
• Polar Surface Area: 43.38 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.13
• LOG S: -4.92
• Polar Surface Area: 43.38 Å^2
• Rotatable Bonds: 7