4-(3-fluoropyridin-2-yl)-2-(6-methoxynaphthalen-2-yl)morpholine

• ChemBase ID: 766349
• Molecular Formular: C20H19FN2O2
• Molecular Mass: 338.3754632
• Monoisotopic Mass: 338.14305608
• SMILES: N1(c2ncccc2F)CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)c1ncccc1F
• InChI: InChI=1S/C20H19FN2O2/c1-24-17-7-6-14-11-16(5-4-15(14)12-17)19-13-23(9-10-25-19)20-18(21)3-2-8-22-20/h2-8,11-12,19H,9-10,13H2,1H3
• InChIKey: AUXKYPQGGXDCND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-fluoropyridin-2-yl)-2-(6-methoxynaphthalen-2-yl)morpholine
• IUPAC Traditional name: 4-(3-fluoropyridin-2-yl)-2-(6-methoxynaphthalen-2-yl)morpholine
• Synonyms: 4-(3-fluoropyridin-2-yl)-2-(6-methoxy-2-naphthyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.9830363
• LogD (pH = 7.4): 3.9981258
• Log P: 3.998322
• Molar Refractivity: 95.1303 cm^3
• Polarizability: 37.1542 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.92
• LOG S: -5.01
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 3