N-[1-(2-fluorophenyl)propan-2-yl]-1-(morpholin-4-ylmethyl)cyclopentan-1-amine

• ChemBase ID: 726258
• Molecular Formular: C19H29FN2O
• Molecular Mass: 320.4447632
• Monoisotopic Mass: 320.22639178
• SMILES: C1(NC(Cc2c(F)cccc2)C)(CN2CCOCC2)CCCC1
• Canonical SMILES: CC(NC1(CCCC1)CN1CCOCC1)Cc1ccccc1F
• InChI: InChI=1S/C19H29FN2O/c1-16(14-17-6-2-3-7-18(17)20)21-19(8-4-5-9-19)15-22-10-12-23-13-11-22/h2-3,6-7,16,21H,4-5,8-15H2,1H3
• InChIKey: AFVDTAJCLKCHMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2-fluorophenyl)propan-2-yl]-1-(morpholin-4-ylmethyl)cyclopentan-1-amine
• IUPAC Traditional name: N-[1-(2-fluorophenyl)propan-2-yl]-1-(morpholin-4-ylmethyl)cyclopentan-1-amine
• Synonyms: N-[2-(2-fluorophenyl)-1-methylethyl]-1-(morpholin-4-ylmethyl)cyclopentanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.024709864
• LogD (pH = 7.4): 0.92191267
• Log P: 3.4581475
• Molar Refractivity: 92.0926 cm^3
• Polarizability: 36.128754 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.97
• LOG S: -3.92
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 6