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

• ChemBase ID: 311307
• Molecular Formular: C17H17ClN2
• Molecular Mass: 284.78328
• Monoisotopic Mass: 284.10802623
• SMILES: [nH]1cc(c2c1cccc2)CCNCc1cc(Cl)ccc1
• Canonical SMILES: Clc1cccc(c1)CNCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C17H17ClN2/c18-15-5-3-4-13(10-15)11-19-9-8-14-12-20-17-7-2-1-6-16(14)17/h1-7,10,12,19-20H,8-9,11H2
• InChIKey: QDPIEYJXTMKWCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 155503-31-4
• MDL Number: MFCD02177312

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.037317
• LogD (pH = 7.4): 1.8515118
• Log P: 4.2475357
• Molar Refractivity: 84.5649 cm^3
• Polarizability: 34.021816 Å^3
• Polar Surface Area: 27.82 Å^2