N-(4-bromophenyl)-2-(2-fluorophenyl)-2,4-dimethylhexan-3-imine

C20H23BrFN — CID 91179385

IUPACN-(4-bromophenyl)-2-(2-fluorophenyl)-2,4-dimethylhexan-3-imine
SMILESCCC(C)/C(=N\c1ccc(Br)cc1)C(C)(C)c1ccccc1F
InChIInChI=1S/C20H23BrFN/c1-5-14(2)19(23-16-12-10-15(21)11-13-16)20(3,4)17-8-6-7-9-18(17)22/h6-14H,5H2,1-4H3/b23-19+
InChIKeyNHPYDJQQIYYTCS-FCDQGJHFSA-N
MW376.31 g/mol
LogP6.68
Rot. Bonds5

About N-(4-bromophenyl)-2-(2-fluorophenyl)-2,4-dimethylhexan-3-imine

N-(4-bromophenyl)-2-(2-fluorophenyl)-2,4-dimethylhexan-3-imine (PubChem CID 91179385) has the molecular formula C20H23BrFN and a molecular weight of 376.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2-fluorophenyl)-2,4-dimethylhexan-3-imine.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2-fluorophenyl)-2,4-dimethylhexan-3-imine
PubChem CID91179385
Molecular FormulaC20H23BrFN
Molecular Weight376.31 g/mol
Exact Mass375.10
IUPAC NameN-(4-bromophenyl)-2-(2-fluorophenyl)-2,4-dimethylhexan-3-imine
SMILESCCC(C)/C(=N\c1ccc(Br)cc1)C(C)(C)c1ccccc1F
InChIInChI=1S/C20H23BrFN/c1-5-14(2)19(23-16-12-10-15(21)11-13-16)20(3,4)17-8-6-7-9-18(17)22/h6-14H,5H2,1-4H3/b23-19+
InChIKeyNHPYDJQQIYYTCS-FCDQGJHFSA-N
XLogP6.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.31
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-2,3,3-trimethyl-3H-indole
CID 11230141
2-[(E)-2-(4-bromophenyl)ethenyl]-3,3-dimethylindole
CID 13593039
Benzenamine, 4-bromo-N-(diphenylethenylidene)-
CID 349473
Benzenamine, N-[1-(4-bromophenyl)ethylidene]-
CID 641181
N-(4-bromo-2-methylphenyl)-2,2,2-trifluoro-1-(p-tolyl)ethan-1-imine
CID 155490362
1-(2-fluorophenyl)-3,3-dimethyl-N-phenylbutan-2-imine
CID 162411394
N-(4-fluorophenyl)-3,3-dimethyl-1-phenylbutan-2-imine
CID 162413522
4-bromo-N-[(E)-(4-isopropylphenyl)methylidene]aniline
CID 3553988
N-Diphenylmethylene-4-bromoaniline
CID 11013110
Benzenamine, 4-bromo-N-(1-phenylethylidene)-
CID 11637633
Benzenamine, N-[1-(3-bromophenyl)ethylidene]-
CID 12176205
6-Bromo-4a-methyl-2,3,4,4a-tetrahydro-1h-carbazole
CID 15850054

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2-fluorophenyl)-2,4-dimethylhexan-3-imine?
The IUPAC name of N-(4-bromophenyl)-2-(2-fluorophenyl)-2,4-dimethylhexan-3-imine (CID 91179385) is N-(4-bromophenyl)-2-(2-fluorophenyl)-2,4-dimethylhexan-3-imine.
What is the SMILES notation for N-(4-bromophenyl)-2-(2-fluorophenyl)-2,4-dimethylhexan-3-imine?
The canonical SMILES for N-(4-bromophenyl)-2-(2-fluorophenyl)-2,4-dimethylhexan-3-imine is CCC(C)/C(=N\c1ccc(Br)cc1)C(C)(C)c1ccccc1F.
What is the InChIKey of N-(4-bromophenyl)-2-(2-fluorophenyl)-2,4-dimethylhexan-3-imine?
The InChIKey is NHPYDJQQIYYTCS-FCDQGJHFSA-N. The full InChI is InChI=1S/C20H23BrFN/c1-5-14(2)19(23-16-12-10-15(21)11-13-16)20(3,4)17-8-6-7-9-18(17)22/h6-14H,5H2,1-4H3/b23-19+.
What are the key properties of N-(4-bromophenyl)-2-(2-fluorophenyl)-2,4-dimethylhexan-3-imine?
N-(4-bromophenyl)-2-(2-fluorophenyl)-2,4-dimethylhexan-3-imine has a molecular weight of 376.31 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2-fluorophenyl)-2,4-dimethylhexan-3-imine is sourced from PubChem (CID 91179385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).