4-methyl-1,2,3,4-tetrahydroquinoline

• ChemBase ID: 108518
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: CC1CCNc2ccccc12
• Canonical SMILES: CC1CCNc2c1cccc2
• InChI: InChI=1S/C10H13N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-5,8,11H,6-7H2,1H3
• InChIKey: OXNZWCYNCDWCJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 4-methyl-1,2,3,4-tetrahydroquinoline
• Synonyms: 1,2,3,4-TETRAHYDRO-4-METHYLQUINOLINE

Database IDs

• CAS Number: 19343-78-3
• PubChem SID: 162095493
• PubChem CID: 86854

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 2.1273482
• LogD (pH = 7.4): 2.21624
• Log P: 2.2175002
• Molar Refractivity: 48.711 cm^3
• Polarizability: 18.058334 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1