[4-fluoro-7-(3-methoxypyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

• ChemBase ID: 644838
• Molecular Formular: C15H15FN2O2
• Molecular Mass: 274.2902032
• Monoisotopic Mass: 274.11175595
• SMILES: c12c(c3ncccc3OC)ccc(c1CC(O2)CN)F
• Canonical SMILES: NCC1Oc2c(C1)c(F)ccc2c1ncccc1OC
• InChI: InChI=1S/C15H15FN2O2/c1-19-13-3-2-6-18-14(13)10-4-5-12(16)11-7-9(8-17)20-15(10)11/h2-6,9H,7-8,17H2,1H3
• InChIKey: DKFUALGYAQPHTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-fluoro-7-(3-methoxypyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
• IUPAC Traditional name: [4-fluoro-7-(3-methoxypyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
• Synonyms: 1-[4-fluoro-7-(3-methoxypyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0559129
• LogD (pH = 7.4): 0.03845414
• Log P: 1.9186802
• Molar Refractivity: 72.7377 cm^3
• Polarizability: 29.470337 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.32
• LOG S: -1.32
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 3