2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-amine hydrochloride

• ChemBase ID: 255350
• Molecular Formular: C13H21ClN2
• Molecular Mass: 240.77224
• Monoisotopic Mass: 240.13932636
• SMILES: N1(Cc2c(CC1)cccc2)C(CN)(C)C.Cl
• Canonical SMILES: NCC(N1CCc2c(C1)cccc2)(C)C.Cl
• InChI: InChI=1S/C13H20N2.ClH/c1-13(2,10-14)15-8-7-11-5-3-4-6-12(11)9-15;/h3-6H,7-10,14H2,1-2H3;1H
• InChIKey: DWNBHMLHKUAKKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-amine hydrochloride
• IUPAC Traditional name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-amine hydrochloride
• Synonyms: 2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-methylpropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD09971546
• PubChem SID: 164311260
• PubChem CID: 43810574

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9995677
• LogD (pH = 7.4): -0.214925
• Log P: 1.854699
• Molar Refractivity: 64.9171 cm^3
• Polarizability: 25.517273 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 207 - 209°C
• Hydrophobicity(logP): 2.251

Product Information

• Purity: 95%