8-(2-aminoethoxy)-2-methylquinoline

• ChemBase ID: 309045
• Molecular Formular: C12H14N2O
• Molecular Mass: 202.25236
• Monoisotopic Mass: 202.11061308
• SMILES: n1c2c(OCCN)cccc2ccc1C
• Canonical SMILES: NCCOc1cccc2c1nc(C)cc2
• InChI: InChI=1S/C12H14N2O/c1-9-5-6-10-3-2-4-11(12(10)14-9)15-8-7-13/h2-6H,7-8,13H2,1H3
• InChIKey: DUPCODKNXKGSAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-aminoethoxy)-2-methylquinoline
• IUPAC Traditional name: 8-(2-aminoethoxy)-2-methylquinoline
• Synonyms: 2-[(2-methyl-8-quinolinyl)oxy]ethanamine

Database IDs

• CAS Number: 1094492-24-6
• MDL Number: MFCD11647851

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6578754
• LogD (pH = 7.4): -0.5483436
• Log P: 1.3076155
• Molar Refractivity: 58.9838 cm^3
• Polarizability: 24.649128 Å^3
• Polar Surface Area: 48.14 Å^2