(6-methylquinolin-3-yl)methanamine

• ChemBase ID: 238867
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: n1c2c(cc(c1)CN)cc(cc2)C
• Canonical SMILES: NCc1cnc2c(c1)cc(cc2)C
• InChI: InChI=1S/C11H12N2/c1-8-2-3-11-10(4-8)5-9(6-12)7-13-11/h2-5,7H,6,12H2,1H3
• InChIKey: LUUXYSUDNNKSNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methylquinolin-3-yl)methanamine
• IUPAC Traditional name: (6-methylquinolin-3-yl)methanamine
• Synonyms: (6-methylquinolin-3-yl)methanamine

Database IDs

• MDL Number: MFCD22391996
• PubChem SID: 164294777
• PubChem CID: 71695451

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.178738
• LogD (pH = 7.4): -0.010157051
• Log P: 1.7700903
• Molar Refractivity: 53.4939 cm^3
• Polarizability: 22.187021 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.48

Product Information

• Purity: 95%