1-[(3-{furo[3,2-c]pyridin-4-yloxy}-5-methylphenyl)methyl]pyrrolidine

• ChemBase ID: 580751
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: c12c(Oc3cc(CN4CCCC4)cc(c3)C)nccc1occ2
• Canonical SMILES: Cc1cc(cc(c1)CN1CCCC1)Oc1nccc2c1cco2
• InChI: InChI=1S/C19H20N2O2/c1-14-10-15(13-21-7-2-3-8-21)12-16(11-14)23-19-17-5-9-22-18(17)4-6-20-19/h4-6,9-12H,2-3,7-8,13H2,1H3
• InChIKey: HIOYQQUIPKKQLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3-{furo[3,2-c]pyridin-4-yloxy}-5-methylphenyl)methyl]pyrrolidine
• IUPAC Traditional name: 1-[(3-{furo[3,2-c]pyridin-4-yloxy}-5-methylphenyl)methyl]pyrrolidine
• Synonyms: 4-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]furo[3,2-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.77802145
• LogD (pH = 7.4): 2.4507415
• Log P: 3.870057
• Molar Refractivity: 90.4214 cm^3
• Polarizability: 35.94258 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.27
• LOG S: -3.23
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 4