(3R,4S)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]-4-propylpyrrolidin-3-amine

• ChemBase ID: 391890
• Molecular Formular: C17H23FN2O
• Molecular Mass: 290.3757232
• Monoisotopic Mass: 290.17944159
• SMILES: C1(C(=O)N2C[C@@H]([C@H](C2)N)CCC)(CC1)c1c(F)cccc1
• Canonical SMILES: CCC[C@H]1CN(C[C@@H]1N)C(=O)C1(CC1)c1ccccc1F
• InChI: InChI=1S/C17H23FN2O/c1-2-5-12-10-20(11-15(12)19)16(21)17(8-9-17)13-6-3-4-7-14(13)18/h3-4,6-7,12,15H,2,5,8-11,19H2,1H3/t12-,15-/m0/s1
• InChIKey: FTEFYYCFLUYLNC-WFASDCNBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]-4-propylpyrrolidin-3-amine
• IUPAC Traditional name: (3R,4S)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]-4-propylpyrrolidin-3-amine
• Synonyms: (3R*,4S*)-1-{[1-(2-fluorophenyl)cyclopropyl]carbonyl}-4-propylpyrrolidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.43091288
• LogD (pH = 7.4): 0.56682664
• Log P: 2.5490592
• Molar Refractivity: 80.6057 cm^3
• Polarizability: 31.511497 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.54
• LOG S: -3.49
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 4