4-bromo-2-(cyclohexyliminomethyl)-5-fluoroaniline

C13H16BrFN2 — CID 155448781

IUPAC4-bromo-2-(cyclohexyliminomethyl)-5-fluoroaniline
SMILESNc1cc(F)c(Br)cc1/C=N/C1CCCCC1
InChIInChI=1S/C13H16BrFN2/c14-11-6-9(13(16)7-12(11)15)8-17-10-4-2-1-3-5-10/h6-8,10H,1-5,16H2/b17-8+
InChIKeyWBXMNQDCJFGYKS-CAOOACKPSA-N
MW299.19 g/mol
LogP3.92
Rot. Bonds2

About 4-bromo-2-(cyclohexyliminomethyl)-5-fluoroaniline

4-bromo-2-(cyclohexyliminomethyl)-5-fluoroaniline (PubChem CID 155448781) has the molecular formula C13H16BrFN2 and a molecular weight of 299.19 g/mol. Its IUPAC name is 4-bromo-2-(cyclohexyliminomethyl)-5-fluoroaniline.

Molecular Properties

Compound Name4-bromo-2-(cyclohexyliminomethyl)-5-fluoroaniline
PubChem CID155448781
Molecular FormulaC13H16BrFN2
Molecular Weight299.19 g/mol
Exact Mass298.05
IUPAC Name4-bromo-2-(cyclohexyliminomethyl)-5-fluoroaniline
SMILESNc1cc(F)c(Br)cc1/C=N/C1CCCCC1
InChIInChI=1S/C13H16BrFN2/c14-11-6-9(13(16)7-12(11)15)8-17-10-4-2-1-3-5-10/h6-8,10H,1-5,16H2/b17-8+
InChIKeyWBXMNQDCJFGYKS-CAOOACKPSA-N
XLogP3.92
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Benzylidene-4-bromoaniline
CID 262176
Benzaldehyde, p-fluoro-, (p-bromophenyl)hydrazone
CID 9578596
Benzaldehyde, m-fluoro-, (p-bromophenyl)hydrazone
CID 9578597
N-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine
CID 2797496
N-[(4-Bromophenyl)methylene]-4-fluorobenzenamine
CID 904271
1-(3-bromophenyl)-N-phenylmethanimine
CID 459280
4-Bromo-N-(4-fluorobenzylidene)-aniline
CID 961544
N-(4-bromophenyl)-1-(2-fluorophenyl)methanimine
CID 15947825
3-bromo-N-(2-fluorobenzylidene)-aniline
CID 129860618
3-fluoro-N-(2-bromobenzylidene)aniline
CID 129860626
N-((3-Bromophenyl)methylene)-4-fluorobenzenamine
CID 139243964
1-(3-bromophenyl)-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine
CID 164678040

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclohexyliminomethyl)-5-fluoroaniline?
The IUPAC name of 4-bromo-2-(cyclohexyliminomethyl)-5-fluoroaniline (CID 155448781) is 4-bromo-2-(cyclohexyliminomethyl)-5-fluoroaniline.
What is the SMILES notation for 4-bromo-2-(cyclohexyliminomethyl)-5-fluoroaniline?
The canonical SMILES for 4-bromo-2-(cyclohexyliminomethyl)-5-fluoroaniline is Nc1cc(F)c(Br)cc1/C=N/C1CCCCC1.
What is the InChIKey of 4-bromo-2-(cyclohexyliminomethyl)-5-fluoroaniline?
The InChIKey is WBXMNQDCJFGYKS-CAOOACKPSA-N. The full InChI is InChI=1S/C13H16BrFN2/c14-11-6-9(13(16)7-12(11)15)8-17-10-4-2-1-3-5-10/h6-8,10H,1-5,16H2/b17-8+.
What are the key properties of 4-bromo-2-(cyclohexyliminomethyl)-5-fluoroaniline?
4-bromo-2-(cyclohexyliminomethyl)-5-fluoroaniline has a molecular weight of 299.19 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(cyclohexyliminomethyl)-5-fluoroaniline is sourced from PubChem (CID 155448781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).