1-methyl-1,2,3,4-tetrahydroquinolin-6-amine

• ChemBase ID: 264204
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: c12N(CCCc1cc(cc2)N)C
• Canonical SMILES: Nc1ccc2c(c1)CCCN2C
• InChI: InChI=1S/C10H14N2/c1-12-6-2-3-8-7-9(11)4-5-10(8)12/h4-5,7H,2-3,6,11H2,1H3
• InChIKey: JACWZQMCSAIZBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1,2,3,4-tetrahydroquinolin-6-amine
• IUPAC Traditional name: 1-methyl-3,4-dihydro-2H-quinolin-6-amine
• Synonyms: 1-methyl-1,2,3,4-tetrahydroquinolin-6-amine

Database IDs

• MDL Number: MFCD09035177
• PubChem SID: 164320114
• PubChem CID: 18475618

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.40357983
• LogD (pH = 7.4): 1.6339091
• Log P: 1.7368209
• Molar Refractivity: 53.0976 cm^3
• Polarizability: 19.17723 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.744

Product Information

• Purity: 95%