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

• ChemBase ID: 557599
• Molecular Formular: C18H22N2O
• Molecular Mass: 282.38008
• Monoisotopic Mass: 282.17321333
• SMILES: N(C(Cc1ncccc1)C)(Cc1cc2c(OCC2)cc1)C
• Canonical SMILES: CN(C(Cc1ccccn1)C)Cc1ccc2c(c1)CCO2
• InChI: InChI=1S/C18H22N2O/c1-14(11-17-5-3-4-9-19-17)20(2)13-15-6-7-18-16(12-15)8-10-21-18/h3-7,9,12,14H,8,10-11,13H2,1-2H3
• InChIKey: DSIGDMXGDKVQSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.26068252
• LogD (pH = 7.4): 1.2293135
• Log P: 3.0387201
• Molar Refractivity: 85.4252 cm^3
• Polarizability: 33.253624 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: 2.94
• LOG S: -1.46
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 5