2-(2,6,7-trimethyl-1H-indol-3-yl)ethan-1-amine

• ChemBase ID: 310395
• Molecular Formular: C13H18N2
• Molecular Mass: 202.29542
• Monoisotopic Mass: 202.14699859
• SMILES: c12[nH]c(c(c1ccc(c2C)C)CCN)C
• Canonical SMILES: NCCc1c(C)[nH]c2c1ccc(c2C)C
• InChI: InChI=1S/C13H18N2/c1-8-4-5-12-11(6-7-14)10(3)15-13(12)9(8)2/h4-5,15H,6-7,14H2,1-3H3
• InChIKey: XCBBWJULNNHATE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6,7-trimethyl-1H-indol-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2,6,7-trimethyl-1H-indol-3-yl)ethanamine
• Synonyms: 2-(2,6,7-trimethyl-1H-indol-3-yl)ethanamine

Database IDs

• MDL Number: MFCD02656482

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -0.2956518
• LogD (pH = 7.4): 0.42901707
• Log P: 2.7128415
• Molar Refractivity: 65.605 cm^3
• Polarizability: 26.05879 Å^3
• Polar Surface Area: 41.81 Å^2