5-methoxy-2-(quinolin-2-ylmethoxy)aniline

• ChemBase ID: 269915
• Molecular Formular: C17H16N2O2
• Molecular Mass: 280.32114
• Monoisotopic Mass: 280.12117776
• SMILES: n1c2c(ccc1COc1c(cc(cc1)OC)N)cccc2
• Canonical SMILES: COc1ccc(c(c1)N)OCc1ccc2c(n1)cccc2
• InChI: InChI=1S/C17H16N2O2/c1-20-14-8-9-17(15(18)10-14)21-11-13-7-6-12-4-2-3-5-16(12)19-13/h2-10H,11,18H2,1H3
• InChIKey: YBHXAEDRSXKRPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-(quinolin-2-ylmethoxy)aniline
• IUPAC Traditional name: 5-methoxy-2-(quinolin-2-ylmethoxy)aniline
• Synonyms: 5-methoxy-2-(quinolin-2-ylmethoxy)aniline

Database IDs

• MDL Number: MFCD13621297
• PubChem SID: 164325825
• PubChem CID: 28773253

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.781799
• LogD (pH = 7.4): 2.7924402
• Log P: 2.792577
• Molar Refractivity: 81.6965 cm^3
• Polarizability: 32.74159 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.868

Product Information

• Purity: 95%