2-(2-aminoethoxy)quinoline

• ChemBase ID: 237492
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: n1c(ccc2c1cccc2)OCCN
• Canonical SMILES: NCCOc1ccc2c(n1)cccc2
• InChI: InChI=1S/C11H12N2O/c12-7-8-14-11-6-5-9-3-1-2-4-10(9)13-11/h1-6H,7-8,12H2
• InChIKey: MATCAPBNCQAQRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethoxy)quinoline
• IUPAC Traditional name: 2-(2-aminoethoxy)quinoline
• Synonyms: 2-(2-aminoethoxy)quinoline

Database IDs

• MDL Number: MFCD16714175
• PubChem SID: 164293402
• PubChem CID: 62348403

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1906083
• LogD (pH = 7.4): -0.08347275
• Log P: 1.770703
• Molar Refractivity: 54.7058 cm^3
• Polarizability: 22.881704 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.05

Product Information

• Purity: 95%