2-(1-benzyl-2-methyl-1H-indol-3-yl)ethan-1-amine

• ChemBase ID: 310565
• Molecular Formular: C18H20N2
• Molecular Mass: 264.3648
• Monoisotopic Mass: 264.16264865
• SMILES: n1(c(c(c2c1cccc2)CCN)C)Cc1ccccc1
• Canonical SMILES: NCCc1c(C)n(c2c1cccc2)Cc1ccccc1
• InChI: InChI=1S/C18H20N2/c1-14-16(11-12-19)17-9-5-6-10-18(17)20(14)13-15-7-3-2-4-8-15/h2-10H,11-13,19H2,1H3
• InChIKey: CDOSZLVHAXMESL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-benzyl-2-methyl-1H-indol-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(1-benzyl-2-methylindol-3-yl)ethanamine
• Synonyms: 2-(1-benzyl-2-methyl-1H-indol-3-yl)ethanamine

Database IDs

• CAS Number: 18690-56-7
• MDL Number: MFCD00426556

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.62715346
• LogD (pH = 7.4): 1.3720571
• Log P: 3.634148
• Molar Refractivity: 85.0319 cm^3
• Polarizability: 33.94116 Å^3
• Polar Surface Area: 30.95 Å^2