5-{[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl}-N,N-dimethylpyridin-2-amine

• ChemBase ID: 382154
• Molecular Formular: C19H25N3O
• Molecular Mass: 311.4213
• Monoisotopic Mass: 311.19976244
• SMILES: N1(C(c2c(OC)cccc2)CCC1)Cc1cnc(N(C)C)cc1
• Canonical SMILES: COc1ccccc1C1CCCN1Cc1ccc(nc1)N(C)C
• InChI: InChI=1S/C19H25N3O/c1-21(2)19-11-10-15(13-20-19)14-22-12-6-8-17(22)16-7-4-5-9-18(16)23-3/h4-5,7,9-11,13,17H,6,8,12,14H2,1-3H3
• InChIKey: YRURDNQHRSCIRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl}-N,N-dimethylpyridin-2-amine
• IUPAC Traditional name: 5-{[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl}-N,N-dimethylpyridin-2-amine
• Synonyms: 5-{[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl}-N,N-dimethylpyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7511549
• LogD (pH = 7.4): 2.5427606
• Log P: 3.431838
• Molar Refractivity: 95.4729 cm^3
• Polarizability: 36.38028 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.73
• LOG S: -2.79
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 5