4-(4-methoxyphenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline hydrobromide

• ChemBase ID: 121769
• Molecular Formular: C19H24BrNO
• Molecular Mass: 362.30396
• Monoisotopic Mass: 361.10412639
• SMILES: C1(c2c(NC(C1)(C)C)cccc2)(c1ccc(cc1)OC)C.Br
• Canonical SMILES: COc1ccc(cc1)C1(C)CC(C)(C)Nc2c1cccc2.Br
• InChI: InChI=1S/C19H23NO.BrH/c1-18(2)13-19(3,14-9-11-15(21-4)12-10-14)16-7-5-6-8-17(16)20-18;/h5-12,20H,13H2,1-4H3;1H
• InChIKey: OFHVYVGSYCWQII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline hydrobromide
• IUPAC Traditional name: 4-(4-methoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline hydrobromide
• Synonyms: 4-(4-methoxyphenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline hydrobromide

Database IDs

• PubChem SID: 162216122
• PubChem CID: 51051853

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.1592126
• LogD (pH = 7.4): 4.1904187
• Log P: 4.1908317
• Molar Refractivity: 99.2957 cm^3
• Polarizability: 33.862015 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HBr