methyl[(1-methyl-1H-indol-3-yl)methyl][(3-methylpyridin-4-yl)methyl]amine

• ChemBase ID: 410535
• Molecular Formular: C18H21N3
• Molecular Mass: 279.37944
• Monoisotopic Mass: 279.17354769
• SMILES: c1(cn(c2c1cccc2)C)CN(Cc1c(cncc1)C)C
• Canonical SMILES: CN(Cc1cn(c2c1cccc2)C)Cc1ccncc1C
• InChI: InChI=1S/C18H21N3/c1-14-10-19-9-8-15(14)11-20(2)12-16-13-21(3)18-7-5-4-6-17(16)18/h4-10,13H,11-12H2,1-3H3
• InChIKey: KTMMTZSFINXIAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1-methyl-1H-indol-3-yl)methyl][(3-methylpyridin-4-yl)methyl]amine
• IUPAC Traditional name: methyl[(1-methylindol-3-yl)methyl][(3-methylpyridin-4-yl)methyl]amine
• Synonyms: N-methyl-1-(1-methyl-1H-indol-3-yl)-N-[(3-methylpyridin-4-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.25426582
• LogD (pH = 7.4): 1.9744225
• Log P: 3.2573028
• Molar Refractivity: 88.0808 cm^3
• Polarizability: 34.90816 Å^3
• Polar Surface Area: 21.06 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: 3.15
• LOG S: -1.62
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 4