2-methyl-5,6,7,8-tetrahydroquinolin-4-amine

• ChemBase ID: 241677
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: n1c2c(c(cc1C)N)CCCC2
• Canonical SMILES: Cc1cc(N)c2c(n1)CCCC2
• InChI: InChI=1S/C10H14N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h6H,2-5H2,1H3,(H2,11,12)
• InChIKey: FTGOJKPUJODQKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5,6,7,8-tetrahydroquinolin-4-amine
• IUPAC Traditional name: 2-methyl-5,6,7,8-tetrahydroquinolin-4-amine
• Synonyms: 2-methyl-5,6,7,8-tetrahydroquinolin-4-amine

Database IDs

• MDL Number: MFCD03426098
• PubChem SID: 164297587
• PubChem CID: 1501986

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5298523
• LogD (pH = 7.4): -0.34524268
• Log P: 1.3841878
• Molar Refractivity: 50.2514 cm^3
• Polarizability: 18.815771 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121 - 123°C
• Hydrophobicity(logP): 2.389

Product Information

• Purity: 95%