2-amino-1-(2,3-dihydro-1H-indol-1-yl)-2-methylpropan-1-one hydrochloride

• ChemBase ID: 48867
• Molecular Formular: C12H17ClN2O
• Molecular Mass: 240.72918
• Monoisotopic Mass: 240.10294085
• SMILES: N1(C(=O)C(N)(C)C)c2c(CC1)cccc2.Cl
• Canonical SMILES: O=C(C(N)(C)C)N1CCc2c1cccc2.Cl
• InChI: InChI=1S/C12H16N2O.ClH/c1-12(2,13)11(15)14-8-7-9-5-3-4-6-10(9)14;/h3-6H,7-8,13H2,1-2H3;1H
• InChIKey: FUNPIEVEPQSLPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1-(2,3-dihydro-1H-indol-1-yl)-2-methylpropan-1-one hydrochloride
• IUPAC Traditional name: 2-amino-1-(2,3-dihydroindol-1-yl)-2-methylpropan-1-one hydrochloride
• Synonyms: 2-Amino-1-(2,3-dihydro-1H-indol-1-yl)-2-methyl-1-propanone hydrochloride

Database IDs

• MDL Number: MFCD13562116
• PubChem SID: 162053630
• PubChem CID: 53408983

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5098773
• LogD (pH = 7.4): 0.087544784
• Log P: 1.192311
• Molar Refractivity: 59.9134 cm^3
• Polarizability: 23.370527 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false