3-ethyl-2-methylquinolin-4-amine

• ChemBase ID: 248812
• Molecular Formular: C12H14N2
• Molecular Mass: 186.25296
• Monoisotopic Mass: 186.11569846
• SMILES: c1(c(c(nc2c1cccc2)C)CC)N
• Canonical SMILES: CCc1c(C)nc2c(c1N)cccc2
• InChI: InChI=1S/C12H14N2/c1-3-9-8(2)14-11-7-5-4-6-10(11)12(9)13/h4-7H,3H2,1-2H3,(H2,13,14)
• InChIKey: HWKKWPIMYWGJBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-2-methylquinolin-4-amine
• IUPAC Traditional name: 3-ethyl-2-methylquinolin-4-amine
• Synonyms: 3-ethyl-2-methylquinolin-4-amine

Database IDs

• MDL Number: MFCD16690992
• PubChem SID: 164304722
• PubChem CID: 62202343

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5910848
• LogD (pH = 7.4): 0.9507409
• Log P: 2.3913348
• Molar Refractivity: 58.9134 cm^3
• Polarizability: 23.530449 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 148 - 150°C
• Hydrophobicity(logP): 3.129

Product Information

• Purity: 95%