2-(5-amino-1H-indol-1-yl)-N,N-diethylacetamide hydrochloride

• ChemBase ID: 266531
• Molecular Formular: C14H20ClN3O
• Molecular Mass: 281.7811
• Monoisotopic Mass: 281.12948996
• SMILES: n1(c2c(cc1)cc(cc2)N)CC(=O)N(CC)CC.Cl
• Canonical SMILES: CCN(C(=O)Cn1ccc2c1ccc(c2)N)CC.Cl
• InChI: InChI=1S/C14H19N3O.ClH/c1-3-16(4-2)14(18)10-17-8-7-11-9-12(15)5-6-13(11)17;/h5-9H,3-4,10,15H2,1-2H3;1H
• InChIKey: DWPRLODGIIYCEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-amino-1H-indol-1-yl)-N,N-diethylacetamide hydrochloride
• IUPAC Traditional name: 2-(5-aminoindol-1-yl)-N,N-diethylacetamide hydrochloride
• Synonyms: 2-(5-amino-1H-indol-1-yl)-N,N-diethylacetamide hydrochloride

Database IDs

• MDL Number: MFCD15209694
• PubChem SID: 164322441
• PubChem CID: 47002732

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2936213
• LogD (pH = 7.4): 1.2987015
• Log P: 1.2987666
• Molar Refractivity: 73.939 cm^3
• Polarizability: 28.94356 Å^3
• Polar Surface Area: 51.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 247 - 249°C
• Hydrophobicity(logP): 1.999

Product Information

• Purity: 95%