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

• ChemBase ID: 460107
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: c12c(c3nc(ccc3)C)cccc2CC(O1)CN
• Canonical SMILES: NCC1Cc2c(O1)c(ccc2)c1cccc(n1)C
• InChI: InChI=1S/C15H16N2O/c1-10-4-2-7-14(17-10)13-6-3-5-11-8-12(9-16)18-15(11)13/h2-7,12H,8-9,16H2,1H3
• InChIKey: HGGYKDRIECZOSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9323671
• LogD (pH = 7.4): 0.18444213
• Log P: 2.0650198
• Molar Refractivity: 70.6496 cm^3
• Polarizability: 29.12619 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.7
• LOG S: -1.4
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2