methyl[(4-methylquinazolin-2-yl)methyl]amine

• ChemBase ID: 267958
• Molecular Formular: C11H13N3
• Molecular Mass: 187.24102
• Monoisotopic Mass: 187.11094743
• SMILES: n1c(c2c(nc1CNC)cccc2)C
• Canonical SMILES: CNCc1nc2ccccc2c(n1)C
• InChI: InChI=1S/C11H13N3/c1-8-9-5-3-4-6-10(9)14-11(13-8)7-12-2/h3-6,12H,7H2,1-2H3
• InChIKey: ZSTGCQKWFYJNES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(4-methylquinazolin-2-yl)methyl]amine
• IUPAC Traditional name: methyl[(4-methylquinazolin-2-yl)methyl]amine
• Synonyms: methyl[(4-methylquinazolin-2-yl)methyl]amine

Database IDs

• MDL Number: MFCD16547689
• PubChem SID: 164323868
• PubChem CID: 47003177

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.42619497
• LogD (pH = 7.4): 1.2320503
• Log P: 1.6258414
• Molar Refractivity: 56.1507 cm^3
• Polarizability: 23.085983 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.939

Product Information

• Purity: 95%