1-(1-methyl-1H-indol-3-yl)ethan-1-amine

• ChemBase ID: 309368
• Molecular Formular: C11H14N2
• Molecular Mass: 174.24226
• Monoisotopic Mass: 174.11569846
• SMILES: c1(cn(c2c1cccc2)C)C(N)C
• Canonical SMILES: CC(c1cn(c2c1cccc2)C)N
• InChI: InChI=1S/C11H14N2/c1-8(12)10-7-13(2)11-6-4-3-5-9(10)11/h3-8H,12H2,1-2H3
• InChIKey: JIKMCZHPLQRBBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-methyl-1H-indol-3-yl)ethan-1-amine
• IUPAC Traditional name: 1-(1-methylindol-3-yl)ethanamine
• Synonyms: 1-(1-methyl-1H-indol-3-yl)ethanamine

Database IDs

• CAS Number: 52971-31-0
• MDL Number: MFCD09965856

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1786335
• LogD (pH = 7.4): -0.5866646
• Log P: 1.8380274
• Molar Refractivity: 54.9334 cm^3
• Polarizability: 22.613195 Å^3
• Polar Surface Area: 30.95 Å^2