methyl[(2-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]amine

• ChemBase ID: 306622
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1(Cc2c(CC1CNC)cccc2)C
• Canonical SMILES: CNCC1Cc2ccccc2CN1C
• InChI: InChI=1S/C12H18N2/c1-13-8-12-7-10-5-3-4-6-11(10)9-14(12)2/h3-6,12-13H,7-9H2,1-2H3
• InChIKey: MBGXCFYVIPXKLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(2-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]amine
• IUPAC Traditional name: methyl[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amine
• Synonyms: N-methyl-1-(2-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine

Database IDs

• MDL Number: MFCD09864225

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.352509
• LogD (pH = 7.4): -0.73370874
• Log P: 1.6498947
• Molar Refractivity: 60.3049 cm^3
• Polarizability: 23.670052 Å^3
• Polar Surface Area: 15.27 Å^2