[7-(3-methoxy-6-methylpyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

• ChemBase ID: 550439
• Molecular Formular: C16H18N2O2
• Molecular Mass: 270.32632
• Monoisotopic Mass: 270.13682783
• SMILES: c12c(c3nc(ccc3OC)C)cccc2CC(O1)CN
• Canonical SMILES: NCC1Cc2c(O1)c(ccc2)c1nc(C)ccc1OC
• InChI: InChI=1S/C16H18N2O2/c1-10-6-7-14(19-2)15(18-10)13-5-3-4-11-8-12(9-17)20-16(11)13/h3-7,12H,8-9,17H2,1-2H3
• InChIKey: ZYBQUPCQYJWFBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [7-(3-methoxy-6-methylpyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
• IUPAC Traditional name: [7-(3-methoxy-6-methylpyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
• Synonyms: 1-[7-(3-methoxy-6-methylpyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0870311
• LogD (pH = 7.4): 0.026811512
• Log P: 1.9073485
• Molar Refractivity: 77.1128 cm^3
• Polarizability: 31.6117 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: 1.8
• LOG S: -1.7
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 3