3-(quinolin-4-yloxy)aniline

• ChemBase ID: 275401
• Molecular Formular: C15H12N2O
• Molecular Mass: 236.26858
• Monoisotopic Mass: 236.09496301
• SMILES: c1(c2c(ncc1)cccc2)Oc1cc(N)ccc1
• Canonical SMILES: Nc1cccc(c1)Oc1ccnc2c1cccc2
• InChI: InChI=1S/C15H12N2O/c16-11-4-3-5-12(10-11)18-15-8-9-17-14-7-2-1-6-13(14)15/h1-10H,16H2
• InChIKey: YVRKMBMIOAEBBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(quinolin-4-yloxy)aniline
• IUPAC Traditional name: 3-(quinolin-4-yloxy)aniline
• Synonyms: 3-(quinolin-4-yloxy)aniline

Database IDs

• MDL Number: MFCD13438142
• PubChem SID: 164331311
• PubChem CID: 54593660

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.591892
• LogD (pH = 7.4): 2.7988267
• Log P: 2.8022616
• Molar Refractivity: 70.9205 cm^3
• Polarizability: 28.482368 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): 2.9

Product Information

• Purity: 95%