(3R,4S)-1-(3-chloropyridin-2-yl)-4-cyclopropyl-N,N-dimethylpyrrolidin-3-amine

• ChemBase ID: 726237
• Molecular Formular: C14H20ClN3
• Molecular Mass: 265.7817
• Monoisotopic Mass: 265.13457534
• SMILES: N1(c2ncccc2Cl)C[C@@H]([C@H](C1)N(C)C)C1CC1
• Canonical SMILES: CN([C@H]1CN(C[C@@H]1C1CC1)c1ncccc1Cl)C
• InChI: InChI=1S/C14H20ClN3/c1-17(2)13-9-18(8-11(13)10-5-6-10)14-12(15)4-3-7-16-14/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3/t11-,13+/m1/s1
• InChIKey: NDWLRMIWWLKCDT-YPMHNXCESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S)-1-(3-chloropyridin-2-yl)-4-cyclopropyl-N,N-dimethylpyrrolidin-3-amine
• IUPAC Traditional name: (3R,4S)-1-(3-chloropyridin-2-yl)-4-cyclopropyl-N,N-dimethylpyrrolidin-3-amine
• Synonyms: (3R*,4S*)-1-(3-chloro-2-pyridinyl)-4-cyclopropyl-N,N-dimethyl-3-pyrrolidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5622011
• LogD (pH = 7.4): 0.85912204
• Log P: 2.7761512
• Molar Refractivity: 75.7975 cm^3
• Polarizability: 29.094568 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.6
• LOG S: -2.35
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 3