N-ethyl-2-methyl-1H-indol-3-amine

• ChemBase ID: 815906
• Molecular Formular: C11H14N2
• Molecular Mass: 174.24226
• Monoisotopic Mass: 174.11569846
• SMILES: N(CC)c1c([nH]c2c1cccc2)C
• Canonical SMILES: CCNc1c(C)[nH]c2c1cccc2
• InChI: InChI=1S/C11H14N2/c1-3-12-11-8(2)13-10-7-5-4-6-9(10)11/h4-7,12-13H,3H2,1-2H3
• InChIKey: OKPBHZSXPSOPNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-methyl-1H-indol-3-amine
• IUPAC Traditional name: N-ethyl-2-methyl-1H-indol-3-amine
• Synonyms: 2-METHYLINDOLE-3-ETHYLAMINE

Database IDs

• CAS Number: 2731/6/8

CALCULATED PROPERTIES

• Acid pKa: 18.127956
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.1011524
• LogD (pH = 7.4): 2.1011553
• Log P: 2.1011553
• Molar Refractivity: 57.2366 cm^3
• Polarizability: 22.201273 Å^3
• Polar Surface Area: 27.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%