2-methyl-1-propyl-1H-indol-5-amine hydrochloride

• ChemBase ID: 24229
• Molecular Formular: C12H17ClN2
• Molecular Mass: 224.72978
• Monoisotopic Mass: 224.10802623
• SMILES: c12n(c(cc1cc(cc2)N)C)CCC.Cl
• Canonical SMILES: CCCn1c(C)cc2c1ccc(c2)N.Cl
• InChI: InChI=1S/C12H16N2.ClH/c1-3-6-14-9(2)7-10-8-11(13)4-5-12(10)14;/h4-5,7-8H,3,6,13H2,1-2H3;1H
• InChIKey: DKFGAVWGKURYPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-propyl-1H-indol-5-amine hydrochloride
• IUPAC Traditional name: 2-methyl-1-propylindol-5-amine hydrochloride
• Synonyms: 2-Methyl-1-propyl-1H-indol-5-ylamine hydrochloride

Database IDs

• MDL Number: MFCD09997707
• PubChem SID: 160987536
• PubChem CID: 46736024

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.536992
• LogD (pH = 7.4): 2.5455396
• Log P: 2.5456495
• Molar Refractivity: 61.1639 cm^3
• Polarizability: 23.959694 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false