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

• ChemBase ID: 443180
• Molecular Formular: C16H23NO2
• Molecular Mass: 261.35932
• Monoisotopic Mass: 261.17287898
• SMILES: N1(CC(OCC1)Cc1cc(OC)ccc1)C1CCC1
• Canonical SMILES: COc1cccc(c1)CC1OCCN(C1)C1CCC1
• InChI: InChI=1S/C16H23NO2/c1-18-15-7-2-4-13(10-15)11-16-12-17(8-9-19-16)14-5-3-6-14/h2,4,7,10,14,16H,3,5-6,8-9,11-12H2,1H3
• InChIKey: NHZCMBPZOCPEAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6262022
• LogD (pH = 7.4): 2.3283806
• Log P: 2.7970324
• Molar Refractivity: 76.3758 cm^3
• Polarizability: 30.105436 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: 2.88
• LOG S: -2.22
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 3