1-(2-methylpropyl)-1H-indol-4-amine hydrochloride

• ChemBase ID: 120181
• Molecular Formular: C12H17ClN2
• Molecular Mass: 224.72978
• Monoisotopic Mass: 224.10802623
• SMILES: n1(c2c(cc1)c(N)ccc2)CC(C)C.Cl
• Canonical SMILES: CC(Cn1ccc2c1cccc2N)C.Cl
• InChI: InChI=1S/C12H16N2.ClH/c1-9(2)8-14-7-6-10-11(13)4-3-5-12(10)14;/h3-7,9H,8,13H2,1-2H3;1H
• InChIKey: QZGMMCCPYJYNAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylpropyl)-1H-indol-4-amine hydrochloride
• IUPAC Traditional name: 1-(2-methylpropyl)indol-4-amine hydrochloride
• Synonyms: 1-isobutyl-1H-indol-4-amine hydrochloride

Database IDs

• PubChem SID: 162214534
• PubChem CID: 56723685

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7065415
• LogD (pH = 7.4): 2.711004
• Log P: 2.711061
• Molar Refractivity: 60.4858 cm^3
• Polarizability: 24.046373 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds