2-(8-methylquinolin-3-yl)ethan-1-amine

• ChemBase ID: 238874
• Molecular Formular: C12H14N2
• Molecular Mass: 186.25296
• Monoisotopic Mass: 186.11569846
• SMILES: n1c2c(cc(c1)CCN)cccc2C
• Canonical SMILES: Cc1cccc2c1ncc(c2)CCN
• InChI: InChI=1S/C12H14N2/c1-9-3-2-4-11-7-10(5-6-13)8-14-12(9)11/h2-4,7-8H,5-6,13H2,1H3
• InChIKey: DKSQCIMGIADMEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(8-methylquinolin-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(8-methylquinolin-3-yl)ethanamine
• Synonyms: 2-(8-methylquinolin-3-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD22392001
• PubChem SID: 164294784
• PubChem CID: 71695365

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.94893074
• LogD (pH = 7.4): -0.18509504
• Log P: 2.0587516
• Molar Refractivity: 58.2489 cm^3
• Polarizability: 23.953335 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%