3-{2-[(3-fluorophenyl)methoxy]phenyl}pyridin-4-amine

• ChemBase ID: 752846
• Molecular Formular: C18H15FN2O
• Molecular Mass: 294.3229032
• Monoisotopic Mass: 294.11684133
• SMILES: c1(c2c(OCc3cc(F)ccc3)cccc2)c(N)ccnc1
• Canonical SMILES: Fc1cccc(c1)COc1ccccc1c1cnccc1N
• InChI: InChI=1S/C18H15FN2O/c19-14-5-3-4-13(10-14)12-22-18-7-2-1-6-15(18)16-11-21-9-8-17(16)20/h1-11H,12H2,(H2,20,21)
• InChIKey: FWHLMUSUVPODIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{2-[(3-fluorophenyl)methoxy]phenyl}pyridin-4-amine
• IUPAC Traditional name: 3-{2-[(3-fluorophenyl)methoxy]phenyl}pyridin-4-amine
• Synonyms: 3-{2-[(3-fluorobenzyl)oxy]phenyl}pyridin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.301808
• LogD (pH = 7.4): 2.5119877
• Log P: 3.2833767
• Molar Refractivity: 85.0299 cm^3
• Polarizability: 33.283268 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.58
• LOG S: -4.4
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4