(6,7-dimethoxyquinolin-3-yl)methanamine

• ChemBase ID: 281993
• Molecular Formular: C12H14N2O2
• Molecular Mass: 218.25176
• Monoisotopic Mass: 218.1055277
• SMILES: n1c2cc(c(cc2cc(c1)CN)OC)OC
• Canonical SMILES: NCc1cnc2c(c1)cc(c(c2)OC)OC
• InChI: InChI=1S/C12H14N2O2/c1-15-11-4-9-3-8(6-13)7-14-10(9)5-12(11)16-2/h3-5,7H,6,13H2,1-2H3
• InChIKey: IZYAPPUSMFFHDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6,7-dimethoxyquinolin-3-yl)methanamine
• IUPAC Traditional name: (6,7-dimethoxyquinolin-3-yl)methanamine
• Synonyms: (6,7-dimethoxyquinolin-3-yl)methanamine

Database IDs

• MDL Number: MFCD16547811
• PubChem SID: 180667524
• PubChem CID: 47003645

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0141497
• LogD (pH = 7.4): -0.868765
• Log P: 0.9413264
• Molar Refractivity: 61.3791 cm^3
• Polarizability: 25.354813 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.219

Product Information

• Purity: 95%