N-(4-bromo-5-fluoro-2-methylphenyl)nonan-5-imine

C16H23BrFN — CID 145244220

IUPACN-(4-bromo-5-fluoro-2-methylphenyl)nonan-5-imine
SMILESCCCCC(CCCC)=Nc1cc(F)c(Br)cc1C
InChIInChI=1S/C16H23BrFN/c1-4-6-8-13(9-7-5-2)19-16-11-15(18)14(17)10-12(16)3/h10-11H,4-9H2,1-3H3
InChIKeyNBFDLJOMKQJMGB-UHFFFAOYSA-N
MW328.27 g/mol
LogP6.35
Rot. Bonds7

About N-(4-bromo-5-fluoro-2-methylphenyl)nonan-5-imine

N-(4-bromo-5-fluoro-2-methylphenyl)nonan-5-imine (PubChem CID 145244220) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is N-(4-bromo-5-fluoro-2-methylphenyl)nonan-5-imine.

Molecular Properties

Compound NameN-(4-bromo-5-fluoro-2-methylphenyl)nonan-5-imine
PubChem CID145244220
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC NameN-(4-bromo-5-fluoro-2-methylphenyl)nonan-5-imine
SMILESCCCCC(CCCC)=Nc1cc(F)c(Br)cc1C
InChIInChI=1S/C16H23BrFN/c1-4-6-8-13(9-7-5-2)19-16-11-15(18)14(17)10-12(16)3/h10-11H,4-9H2,1-3H3
InChIKeyNBFDLJOMKQJMGB-UHFFFAOYSA-N
XLogP6.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.27
LogP ≤ 56.35
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
4-Bromo-2-ethylphenyl isocyanate
CID 4426496
4-Bromo-5-fluoro-2-methylaniline
CID 7018044
4-Bromo-2-ethyl-5-fluoroaniline
CID 90146797
4-Bromo-1-isothiocyanato-2-methylbenzene
CID 87977
N-(4-bromo-2-methylphenyl)-2,2,2-trifluoro-1-(p-tolyl)ethan-1-imine
CID 155490362
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
2,8-Dibromoindolo[3,2-b]carbazole
CID 86811096
N-(4-bromophenyl)-1-(4-fluorophenyl)ethanimine
CID 11185429
5-bromo-2-[4-(2-fluorophenyl)phenyl]-3H-indole
CID 58119438

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)nonan-5-imine?
The IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)nonan-5-imine (CID 145244220) is N-(4-bromo-5-fluoro-2-methylphenyl)nonan-5-imine.
What is the SMILES notation for N-(4-bromo-5-fluoro-2-methylphenyl)nonan-5-imine?
The canonical SMILES for N-(4-bromo-5-fluoro-2-methylphenyl)nonan-5-imine is CCCCC(CCCC)=Nc1cc(F)c(Br)cc1C.
What is the InChIKey of N-(4-bromo-5-fluoro-2-methylphenyl)nonan-5-imine?
The InChIKey is NBFDLJOMKQJMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-4-6-8-13(9-7-5-2)19-16-11-15(18)14(17)10-12(16)3/h10-11H,4-9H2,1-3H3.
What are the key properties of N-(4-bromo-5-fluoro-2-methylphenyl)nonan-5-imine?
N-(4-bromo-5-fluoro-2-methylphenyl)nonan-5-imine has a molecular weight of 328.27 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-fluoro-2-methylphenyl)nonan-5-imine is sourced from PubChem (CID 145244220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).