4-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)morpholine

• ChemBase ID: 661189
• Molecular Formular: C14H20FNO2
• Molecular Mass: 253.3125032
• Monoisotopic Mass: 253.14780711
• SMILES: N1(Cc2cc(F)ccc2)CC(OCC1)CCOC
• Canonical SMILES: COCCC1OCCN(C1)Cc1cccc(c1)F
• InChI: InChI=1S/C14H20FNO2/c1-17-7-5-14-11-16(6-8-18-14)10-12-3-2-4-13(15)9-12/h2-4,9,14H,5-8,10-11H2,1H3
• InChIKey: OJRLSEAGTHDFME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.79888415
• LogD (pH = 7.4): 1.8504558
• Log P: 1.9115953
• Molar Refractivity: 69.4707 cm^3
• Polarizability: 26.900196 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.35
• LOG S: -1.19
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5