6-ethyl-2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinoline

• ChemBase ID: 60734
• Molecular Formular: C20H25N
• Molecular Mass: 279.4192
• Monoisotopic Mass: 279.19869981
• SMILES: C1(c2c(NC(C1)(C)C)ccc(c2)CC)(c1ccccc1)C
• Canonical SMILES: CCc1ccc2c(c1)C(C)(CC(N2)(C)C)c1ccccc1
• InChI: InChI=1S/C20H25N/c1-5-15-11-12-18-17(13-15)20(4,14-19(2,3)21-18)16-9-7-6-8-10-16/h6-13,21H,5,14H2,1-4H3
• InChIKey: ASQMKMDDYIPRCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 6-ethyl-2,2,4-trimethyl-4-phenyl-1,3-dihydroquinoline
• Synonyms: 6-Ethyl-2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinoline

Database IDs

• MDL Number: MFCD05843902
• PubChem SID: 162026475
• PubChem CID: 4888610

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.2332797
• LogD (pH = 7.4): 5.3054895
• Log P: 5.3064933
• Molar Refractivity: 102.4747 cm^3
• Polarizability: 35.00063 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false