2-(6-methylquinolin-3-yl)ethan-1-amine

• ChemBase ID: 238873
• Molecular Formular: C12H14N2
• Molecular Mass: 186.25296
• Monoisotopic Mass: 186.11569846
• SMILES: n1c2c(cc(cc2)C)cc(c1)CCN
• Canonical SMILES: NCCc1cnc2c(c1)cc(cc2)C
• InChI: InChI=1S/C12H14N2/c1-9-2-3-12-11(6-9)7-10(4-5-13)8-14-12/h2-3,6-8H,4-5,13H2,1H3
• InChIKey: HUUYTKLYVDOBIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methylquinolin-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(6-methylquinolin-3-yl)ethanamine
• Synonyms: 2-(6-methylquinolin-3-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD22392000
• PubChem SID: 164294783
• PubChem CID: 71695366

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9495045
• LogD (pH = 7.4): -0.18541293
• Log P: 2.0587516
• Molar Refractivity: 58.2489 cm^3
• Polarizability: 23.951756 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.819

Product Information

• Purity: 95%