(2,3-dihydro-1-benzofuran-5-ylmethyl)(methyl)[1-(4-methylpyridin-2-yl)propan-2-yl]amine

• ChemBase ID: 692907
• Molecular Formular: C19H24N2O
• Molecular Mass: 296.40666
• Monoisotopic Mass: 296.1888634
• SMILES: N(C(Cc1nccc(c1)C)C)(Cc1cc2c(OCC2)cc1)C
• Canonical SMILES: CN(C(Cc1nccc(c1)C)C)Cc1ccc2c(c1)CCO2
• InChI: InChI=1S/C19H24N2O/c1-14-6-8-20-18(10-14)11-15(2)21(3)13-16-4-5-19-17(12-16)7-9-22-19/h4-6,8,10,12,15H,7,9,11,13H2,1-3H3
• InChIKey: IDOQHOFAEXJVPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3-dihydro-1-benzofuran-5-ylmethyl)(methyl)[1-(4-methylpyridin-2-yl)propan-2-yl]amine
• IUPAC Traditional name: (2,3-dihydro-1-benzofuran-5-ylmethyl)(methyl)[1-(4-methylpyridin-2-yl)propan-2-yl]amine
• Synonyms: (2,3-dihydro-1-benzofuran-5-ylmethyl)methyl[1-methyl-2-(4-methylpyridin-2-yl)ethyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.21655785
• LogD (pH = 7.4): 1.7261928
• Log P: 3.5521417
• Molar Refractivity: 90.4664 cm^3
• Polarizability: 35.01871 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.44
• LOG S: -1.99
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 5