dimethyl[(2-methyl-1H-indol-3-yl)methyl]amine

• ChemBase ID: 800852
• Molecular Formular: C12H16N2
• Molecular Mass: 188.26884
• Monoisotopic Mass: 188.13134852
• SMILES: N(Cc1c([nH]c2c1cccc2)C)(C)C
• Canonical SMILES: CN(Cc1c(C)[nH]c2c1cccc2)C
• InChI: InChI=1S/C12H16N2/c1-9-11(8-14(2)3)10-6-4-5-7-12(10)13-9/h4-7,13H,8H2,1-3H3
• InChIKey: AJNMXMZCRHTBEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[(2-methyl-1H-indol-3-yl)methyl]amine
• IUPAC Traditional name: dimethyl[(2-methyl-1H-indol-3-yl)methyl]amine
• Synonyms: Dimethyl-(2-methyl-1H-indol-3-ylmethyl)-amine

Database IDs

• CAS Number: 37125-92-1

CALCULATED PROPERTIES

• Acid pKa: 16.183872
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1052145
• LogD (pH = 7.4): 0.33639354
• Log P: 2.212966
• Molar Refractivity: 60.8369 cm^3
• Polarizability: 24.461418 Å^3
• Polar Surface Area: 19.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%