4-cyclopentyl-2-(2-phenylethyl)morpholine

• ChemBase ID: 478515
• Molecular Formular: C17H25NO
• Molecular Mass: 259.3865
• Monoisotopic Mass: 259.19361443
• SMILES: N1(CC(OCC1)CCc1ccccc1)C1CCCC1
• Canonical SMILES: C1CCC(C1)N1CCOC(C1)CCc1ccccc1
• InChI: InChI=1S/C17H25NO/c1-2-6-15(7-3-1)10-11-17-14-18(12-13-19-17)16-8-4-5-9-16/h1-3,6-7,16-17H,4-5,8-14H2
• InChIKey: DFHQZLAGYSCOTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopentyl-2-(2-phenylethyl)morpholine
• IUPAC Traditional name: 4-cyclopentyl-2-(2-phenylethyl)morpholine
• Synonyms: 4-cyclopentyl-2-(2-phenylethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.99419594
• LogD (pH = 7.4): 2.7504296
• Log P: 3.8438408
• Molar Refractivity: 79.1146 cm^3
• Polarizability: 31.299736 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.01
• LOG S: -3.19
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4