1-(1-methyl-1H-indol-3-yl)ethan-1-amine hydrochloride

• ChemBase ID: 55443
• Molecular Formular: C11H15ClN2
• Molecular Mass: 210.7032
• Monoisotopic Mass: 210.09237617
• SMILES: c1ccc2c(c1)c(cn2C)C(N)C.Cl
• Canonical SMILES: CC(c1cn(c2c1cccc2)C)N.Cl
• InChI: InChI=1S/C11H14N2.ClH/c1-8(12)10-7-13(2)11-6-4-3-5-9(10)11;/h3-8H,12H2,1-2H3;1H
• InChIKey: OOYGVXHXWUVIQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-methyl-1H-indol-3-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 1-(1-methylindol-3-yl)ethanamine hydrochloride
• Synonyms: [1-(1-Methyl-1H-indol-3-yl)ethyl]amine hydrochloride

Database IDs

• MDL Number: MFCD15201746
• PubChem SID: 162060206
• PubChem CID: 71299315

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1786335
• LogD (pH = 7.4): -0.5866646
• Log P: 1.8380274
• Molar Refractivity: 54.9334 cm^3
• Polarizability: 22.613195 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false