2-[(4-fluorophenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]morpholine

• ChemBase ID: 679451
• Molecular Formular: C17H20FNO2
• Molecular Mass: 289.3446032
• Monoisotopic Mass: 289.14780711
• SMILES: c1(oc(cc1)C)CN1CC(OCC1)Cc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)CC1OCCN(C1)Cc1ccc(o1)C
• InChI: InChI=1S/C17H20FNO2/c1-13-2-7-16(21-13)11-19-8-9-20-17(12-19)10-14-3-5-15(18)6-4-14/h2-7,17H,8-12H2,1H3
• InChIKey: VJCDTACCQDYFMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-fluorophenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]morpholine
• IUPAC Traditional name: 2-[(4-fluorophenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]morpholine
• Synonyms: 2-(4-fluorobenzyl)-4-[(5-methyl-2-furyl)methyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7523446
• LogD (pH = 7.4): 3.0508285
• Log P: 3.1715534
• Molar Refractivity: 80.47 cm^3
• Polarizability: 30.668306 Å^3
• Polar Surface Area: 25.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.79
• LOG S: -3.12
• Polar Surface Area: 25.61 Å^2
• Rotatable Bonds: 4