2-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine hydrochloride

• ChemBase ID: 263168
• Molecular Formular: C10H15ClN2
• Molecular Mass: 198.6925
• Monoisotopic Mass: 198.09237617
• SMILES: c12c(CN(CC1)C)cccc2N.Cl
• Canonical SMILES: CN1CCc2c(C1)cccc2N.Cl
• InChI: InChI=1S/C10H14N2.ClH/c1-12-6-5-9-8(7-12)3-2-4-10(9)11;/h2-4H,5-7,11H2,1H3;1H
• InChIKey: NJGVCYUOQYDSJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine hydrochloride
• IUPAC Traditional name: 2-methyl-3,4-dihydro-1H-isoquinolin-5-amine hydrochloride
• Synonyms: 2-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine hydrochloride

Database IDs

• MDL Number: MFCD13195995
• PubChem SID: 164319078
• PubChem CID: 45792262

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2574906
• LogD (pH = 7.4): -0.93312705
• Log P: 1.1256051
• Molar Refractivity: 52.6107 cm^3
• Polarizability: 19.573559 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 249 - 251°C
• Hydrophobicity(logP): 0.814

Product Information

• Purity: 95%