2-amino-2-methyl-1-(1,2,3,4-tetrahydroquinolin-1-yl)propan-1-one hydrochloride

• ChemBase ID: 48868
• Molecular Formular: C13H19ClN2O
• Molecular Mass: 254.75576
• Monoisotopic Mass: 254.11859092
• SMILES: N1(C(=O)C(N)(C)C)c2c(CCC1)cccc2.Cl
• Canonical SMILES: O=C(C(N)(C)C)N1CCCc2c1cccc2.Cl
• InChI: InChI=1S/C13H18N2O.ClH/c1-13(2,14)12(16)15-9-5-7-10-6-3-4-8-11(10)15;/h3-4,6,8H,5,7,9,14H2,1-2H3;1H
• InChIKey: MZFNCJIFGRLICL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-methyl-1-(1,2,3,4-tetrahydroquinolin-1-yl)propan-1-one hydrochloride
• IUPAC Traditional name: 2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one hydrochloride
• Synonyms: 2-Amino-1-[3,4-dihydro-1(2H)-quinolinyl]-2-methyl-1-propanone hydrochloride

Database IDs

• MDL Number: MFCD13562117
• PubChem SID: 162053631
• PubChem CID: 53409007

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0653117
• LogD (pH = 7.4): 0.53210825
• Log P: 1.6368797
• Molar Refractivity: 64.5144 cm^3
• Polarizability: 25.214897 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