[5-({ethyl[(2-fluorophenyl)methyl]amino}methyl)furan-2-yl]methanol

• ChemBase ID: 602192
• Molecular Formular: C15H18FNO2
• Molecular Mass: 263.3073232
• Monoisotopic Mass: 263.13215704
• SMILES: c1(oc(cc1)CO)CN(Cc1c(F)cccc1)CC
• Canonical SMILES: CCN(Cc1ccccc1F)Cc1ccc(o1)CO
• InChI: InChI=1S/C15H18FNO2/c1-2-17(9-12-5-3-4-6-15(12)16)10-13-7-8-14(11-18)19-13/h3-8,18H,2,9-11H2,1H3
• InChIKey: UOESQCKCQULQDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-({ethyl[(2-fluorophenyl)methyl]amino}methyl)furan-2-yl]methanol
• IUPAC Traditional name: [5-({ethyl[(2-fluorophenyl)methyl]amino}methyl)furan-2-yl]methanol
• Synonyms: (5-{[ethyl(2-fluorobenzyl)amino]methyl}-2-furyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.726006
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6129905
• LogD (pH = 7.4): 2.1240394
• Log P: 2.3515236
• Molar Refractivity: 73.2626 cm^3
• Polarizability: 27.787973 Å^3
• Polar Surface Area: 36.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.55
• LOG S: -2.29
• Polar Surface Area: 36.61 Å^2
• Rotatable Bonds: 6