N-{[2-(2,3-difluoro-4-methylphenoxy)pyridin-3-yl]methyl}cyclobutanamine

• ChemBase ID: 705589
• Molecular Formular: C17H18F2N2O
• Molecular Mass: 304.3344264
• Monoisotopic Mass: 304.13871965
• SMILES: c1(c(Oc2c(CNC3CCC3)cccn2)ccc(c1F)C)F
• Canonical SMILES: Cc1ccc(c(c1F)F)Oc1ncccc1CNC1CCC1
• InChI: InChI=1S/C17H18F2N2O/c1-11-7-8-14(16(19)15(11)18)22-17-12(4-3-9-20-17)10-21-13-5-2-6-13/h3-4,7-9,13,21H,2,5-6,10H2,1H3
• InChIKey: UZRXUFGKOSRZDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2,3-difluoro-4-methylphenoxy)pyridin-3-yl]methyl}cyclobutanamine
• IUPAC Traditional name: N-{[2-(2,3-difluoro-4-methylphenoxy)pyridin-3-yl]methyl}cyclobutanamine
• Synonyms: N-{[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl}cyclobutanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1039374
• LogD (pH = 7.4): 2.6103253
• Log P: 4.117625
• Molar Refractivity: 80.9896 cm^3
• Polarizability: 30.860153 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.54
• LOG S: -4.11
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 5