N-methyl-N-[1-(pyridin-2-yl)propan-2-yl]-2,3-dihydro-1H-inden-2-amine

• ChemBase ID: 539334
• Molecular Formular: C18H22N2
• Molecular Mass: 266.38068
• Monoisotopic Mass: 266.17829871
• SMILES: C1(N(C(Cc2ncccc2)C)C)Cc2c(C1)cccc2
• Canonical SMILES: CN(C1Cc2c(C1)cccc2)C(Cc1ccccn1)C
• InChI: InChI=1S/C18H22N2/c1-14(11-17-9-5-6-10-19-17)20(2)18-12-15-7-3-4-8-16(15)13-18/h3-10,14,18H,11-13H2,1-2H3
• InChIKey: PLGDCVKNZAHKTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(pyridin-2-yl)propan-2-yl]-2,3-dihydro-1H-inden-2-amine
• IUPAC Traditional name: N-methyl-N-[1-(pyridin-2-yl)propan-2-yl]-2,3-dihydro-1H-inden-2-amine
• Synonyms: 2,3-dihydro-1H-inden-2-yl(methyl)(1-methyl-2-pyridin-2-ylethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.0970287
• LogD (pH = 7.4): 1.1494877
• Log P: 3.5448196
• Molar Refractivity: 83.3872 cm^3
• Polarizability: 32.53906 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.76
• LOG S: -1.19
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 4