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

C15H21BrFN — CID 126555059

IUPACN-(4-bromo-5-fluoro-2-methylphenyl)octan-4-imine
SMILESCCCC/C(CCC)=N/c1cc(F)c(Br)cc1C
InChIInChI=1S/C15H21BrFN/c1-4-6-8-12(7-5-2)18-15-10-14(17)13(16)9-11(15)3/h9-10H,4-8H2,1-3H3/b18-12+
InChIKeyLGEAYFHVYHZIDR-LDADJPATSA-N
MW314.24 g/mol
LogP5.96
Rot. Bonds6

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

N-(4-bromo-5-fluoro-2-methylphenyl)octan-4-imine (PubChem CID 126555059) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is N-(4-bromo-5-fluoro-2-methylphenyl)octan-4-imine.

Molecular Properties

Compound NameN-(4-bromo-5-fluoro-2-methylphenyl)octan-4-imine
PubChem CID126555059
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC NameN-(4-bromo-5-fluoro-2-methylphenyl)octan-4-imine
SMILESCCCC/C(CCC)=N/c1cc(F)c(Br)cc1C
InChIInChI=1S/C15H21BrFN/c1-4-6-8-12(7-5-2)18-15-10-14(17)13(16)9-11(15)3/h9-10H,4-8H2,1-3H3/b18-12+
InChIKeyLGEAYFHVYHZIDR-LDADJPATSA-N
XLogP5.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.24
LogP ≤ 55.96
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

4-Bromo-2-ethylaniline
CID 2801283
5-Bromo-2,3,3-trimethyl-3H-indole
CID 11230141
4-Bromo-2-methylphenyl isocyanate
CID 2735594
4-Bromo-2-ethylphenyl isocyanate
CID 4426496
4-Bromo-5-fluoro-2-methylaniline
CID 7018044
4-Bromo-2-fluoro-6-methylaniline
CID 17972671
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

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)octan-4-imine?
The IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)octan-4-imine (CID 126555059) is N-(4-bromo-5-fluoro-2-methylphenyl)octan-4-imine.
What is the SMILES notation for N-(4-bromo-5-fluoro-2-methylphenyl)octan-4-imine?
The canonical SMILES for N-(4-bromo-5-fluoro-2-methylphenyl)octan-4-imine is CCCC/C(CCC)=N/c1cc(F)c(Br)cc1C.
What is the InChIKey of N-(4-bromo-5-fluoro-2-methylphenyl)octan-4-imine?
The InChIKey is LGEAYFHVYHZIDR-LDADJPATSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-4-6-8-12(7-5-2)18-15-10-14(17)13(16)9-11(15)3/h9-10H,4-8H2,1-3H3/b18-12+.
What are the key properties of N-(4-bromo-5-fluoro-2-methylphenyl)octan-4-imine?
N-(4-bromo-5-fluoro-2-methylphenyl)octan-4-imine has a molecular weight of 314.24 g/mol, XLogP of 5.96, 6 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)octan-4-imine is sourced from PubChem (CID 126555059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).