(8-methoxyquinolin-3-yl)methanamine

• ChemBase ID: 238869
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: n1c2c(cc(c1)CN)cccc2OC
• Canonical SMILES: COc1cccc2c1ncc(c2)CN
• InChI: InChI=1S/C11H12N2O/c1-14-10-4-2-3-9-5-8(6-12)7-13-11(9)10/h2-5,7H,6,12H2,1H3
• InChIKey: IDFFBNWYKRYPMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8-methoxyquinolin-3-yl)methanamine
• IUPAC Traditional name: (8-methoxyquinolin-3-yl)methanamine
• Synonyms: (8-methoxyquinolin-3-yl)methanamine

Database IDs

• MDL Number: MFCD19285482
• PubChem SID: 164294779
• PubChem CID: 71695502

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8461169
• LogD (pH = 7.4): -0.6655876
• Log P: 1.0989976
• Molar Refractivity: 54.9159 cm^3
• Polarizability: 22.880526 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.276

Product Information

• Purity: 95%