[(4-ethylphenyl)methyl][2-(1H-indol-3-yl)ethyl]amine

• ChemBase ID: 311342
• Molecular Formular: C19H22N2
• Molecular Mass: 278.39138
• Monoisotopic Mass: 278.17829871
• SMILES: [nH]1cc(c2c1cccc2)CCNCc1ccc(cc1)CC
• Canonical SMILES: CCc1ccc(cc1)CNCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C19H22N2/c1-2-15-7-9-16(10-8-15)13-20-12-11-17-14-21-19-6-4-3-5-18(17)19/h3-10,14,20-21H,2,11-13H2,1H3
• InChIKey: ZZKJKRQDOVNYSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-ethylphenyl)methyl][2-(1H-indol-3-yl)ethyl]amine
• IUPAC Traditional name: [(4-ethylphenyl)methyl][2-(1H-indol-3-yl)ethyl]amine
• Synonyms: (4-ethylbenzyl)[2-(1H-indol-3-yl)ethyl]amine

Database IDs

• CAS Number: 353773-77-0
• MDL Number: MFCD02177310

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.378992
• LogD (pH = 7.4): 2.026586
• Log P: 4.601481
• Molar Refractivity: 89.4023 cm^3
• Polarizability: 35.87338 Å^3
• Polar Surface Area: 27.82 Å^2