1-{[3-(cyclopentyloxy)phenyl]methyl}pyrrolidin-3-amine

• ChemBase ID: 561239
• Molecular Formular: C16H24N2O
• Molecular Mass: 260.37456
• Monoisotopic Mass: 260.1888634
• SMILES: N1(Cc2cc(OC3CCCC3)ccc2)CC(CC1)N
• Canonical SMILES: NC1CCN(C1)Cc1cccc(c1)OC1CCCC1
• InChI: InChI=1S/C16H24N2O/c17-14-8-9-18(12-14)11-13-4-3-7-16(10-13)19-15-5-1-2-6-15/h3-4,7,10,14-15H,1-2,5-6,8-9,11-12,17H2
• InChIKey: WOHRPWZNUCJABI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[3-(cyclopentyloxy)phenyl]methyl}pyrrolidin-3-amine
• IUPAC Traditional name: 1-{[3-(cyclopentyloxy)phenyl]methyl}pyrrolidin-3-amine
• Synonyms: 1-[3-(cyclopentyloxy)benzyl]pyrrolidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.655724
• LogD (pH = 7.4): 0.053359147
• Log P: 2.2628913
• Molar Refractivity: 77.9935 cm^3
• Polarizability: 31.033577 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.44
• LOG S: -2.17
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 4