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

• ChemBase ID: 414423
• Molecular Formular: C20H19FN2O2
• Molecular Mass: 338.3754632
• Monoisotopic Mass: 338.14305608
• SMILES: N1(c2c(F)cncc2)CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)c1ccncc1F
• InChI: InChI=1S/C20H19FN2O2/c1-24-17-5-4-14-10-16(3-2-15(14)11-17)20-13-23(8-9-25-20)19-6-7-22-12-18(19)21/h2-7,10-12,20H,8-9,13H2,1H3
• InChIKey: VHCILXNQZYZVJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7441695
• LogD (pH = 7.4): 3.3721855
• Log P: 3.4038644
• Molar Refractivity: 94.8168 cm^3
• Polarizability: 37.149723 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: 3.85
• LOG S: -4.96
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 3