4-cyclopentyl-2-[(3-methoxyphenyl)methyl]morpholine

• ChemBase ID: 579477
• Molecular Formular: C17H25NO2
• Molecular Mass: 275.3859
• Monoisotopic Mass: 275.18852905
• SMILES: N1(CC(OCC1)Cc1cc(OC)ccc1)C1CCCC1
• Canonical SMILES: COc1cccc(c1)CC1OCCN(C1)C1CCCC1
• InChI: InChI=1S/C17H25NO2/c1-19-16-8-4-5-14(11-16)12-17-13-18(9-10-20-17)15-6-2-3-7-15/h4-5,8,11,15,17H,2-3,6-7,9-10,12-13H2,1H3
• InChIKey: OIMIAQXGTASMIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopentyl-2-[(3-methoxyphenyl)methyl]morpholine
• IUPAC Traditional name: 4-cyclopentyl-2-[(3-methoxyphenyl)methyl]morpholine
• Synonyms: 4-cyclopentyl-2-(3-methoxybenzyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.64178514
• LogD (pH = 7.4): 2.4154086
• Log P: 3.241601
• Molar Refractivity: 80.9768 cm^3
• Polarizability: 31.949432 Å^3
• Polar Surface Area: 21.7 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: 3.44
• LOG S: -2.58
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 3