N-(4-bromo-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

C21H24BrFN2 — CID 50859847

About N-(4-bromo-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

N-(4-bromo-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50859847) has the molecular formula C21H24BrFN2 and a molecular weight of 403.34 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

• Compound Name: N-(4-bromo-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
• PubChem CID: 50859847
• Molecular Formula: C21H24BrFN2
• Molecular Weight: 403.34 g/mol
• Exact Mass: 402.11
• IUPAC Name: N-(4-bromo-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
• SMILES: Cc1cc(Br)ccc1/N=C/c1cc2c(cc1F)N(C)C(C)(C)CC2C
• InChI: InChI=1S/C21H24BrFN2/c1-13-8-16(22)6-7-19(13)24-12-15-9-17-14(2)11-21(3,4)25(5)20(17)10-18(15)23/h6-10,12,14H,11H2,1-5H3/b24-12+
• InChIKey: XRNBDMPKCLIVFT-WYMPLXKRSA-N
• XLogP: 6.37
• TPSA: 15.60 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.34
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?

The IUPAC name of N-(4-bromo-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50859847) is N-(4-bromo-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.

What is the SMILES notation for N-(4-bromo-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?

The canonical SMILES for N-(4-bromo-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is Cc1cc(Br)ccc1/N=C/c1cc2c(cc1F)N(C)C(C)(C)CC2C.

What is the InChIKey of N-(4-bromo-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?

The InChIKey is XRNBDMPKCLIVFT-WYMPLXKRSA-N. The full InChI is InChI=1S/C21H24BrFN2/c1-13-8-16(22)6-7-19(13)24-12-15-9-17-14(2)11-21(3,4)25(5)20(17)10-18(15)23/h6-10,12,14H,11H2,1-5H3/b24-12+.

What are the key properties of N-(4-bromo-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?

N-(4-bromo-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 403.34 g/mol, XLogP of 6.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromo-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50859847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).