2-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)morpholine

• ChemBase ID: 396740
• Molecular Formular: C17H19FN2O
• Molecular Mass: 286.3439632
• Monoisotopic Mass: 286.14814146
• SMILES: N1(Cc2cnccc2)CC(OCC1)Cc1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)CC1OCCN(C1)Cc1cccnc1
• InChI: InChI=1S/C17H19FN2O/c18-16-5-1-3-14(9-16)10-17-13-20(7-8-21-17)12-15-4-2-6-19-11-15/h1-6,9,11,17H,7-8,10,12-13H2
• InChIKey: YISOZMVXYYJSHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)morpholine
• IUPAC Traditional name: 2-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)morpholine
• Synonyms: 2-(3-fluorobenzyl)-4-(3-pyridinylmethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4571583
• LogD (pH = 7.4): 2.6128647
• Log P: 2.694073
• Molar Refractivity: 80.7725 cm^3
• Polarizability: 31.129953 Å^3
• Polar Surface Area: 25.36 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: 2.62
• LOG S: -2.37
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 4