methyl[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]amine

• ChemBase ID: 310390
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: c12N(CCCc1cc(cc2)CNC)C
• Canonical SMILES: CNCc1ccc2c(c1)CCCN2C
• InChI: InChI=1S/C12H18N2/c1-13-9-10-5-6-12-11(8-10)4-3-7-14(12)2/h5-6,8,13H,3-4,7,9H2,1-2H3
• InChIKey: OHBYUIJYWIIRTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]amine
• IUPAC Traditional name: methyl[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amine
• Synonyms: N-methyl-1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine

Database IDs

• CAS Number: 916792-22-8
• MDL Number: MFCD08060948

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1258554
• LogD (pH = 7.4): -0.24700618
• Log P: 2.1240957
• Molar Refractivity: 61.6452 cm^3
• Polarizability: 23.265501 Å^3
• Polar Surface Area: 15.27 Å^2