5-bromo-N-(2-cyclohexylethyl)-4-fluoro-2-methylaniline

C15H21BrFN — CID 107591544

IUPAC5-bromo-N-(2-cyclohexylethyl)-4-fluoro-2-methylaniline
SMILESCc1cc(F)c(Br)cc1NCCC1CCCCC1
InChIInChI=1S/C15H21BrFN/c1-11-9-14(17)13(16)10-15(11)18-8-7-12-5-3-2-4-6-12/h9-10,12,18H,2-8H2,1H3
InChIKeyLHIXQGKGAGYTES-UHFFFAOYSA-N
MW314.24 g/mol
LogP5.28
Rot. Bonds4

About 5-bromo-N-(2-cyclohexylethyl)-4-fluoro-2-methylaniline

5-bromo-N-(2-cyclohexylethyl)-4-fluoro-2-methylaniline (PubChem CID 107591544) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 5-bromo-N-(2-cyclohexylethyl)-4-fluoro-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-(2-cyclohexylethyl)-4-fluoro-2-methylaniline
PubChem CID107591544
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name5-bromo-N-(2-cyclohexylethyl)-4-fluoro-2-methylaniline
SMILESCc1cc(F)c(Br)cc1NCCC1CCCCC1
InChIInChI=1S/C15H21BrFN/c1-11-9-14(17)13(16)10-15(11)18-8-7-12-5-3-2-4-6-12/h9-10,12,18H,2-8H2,1H3
InChIKeyLHIXQGKGAGYTES-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.24
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-(cyclobutylmethyl)-4-fluoro-2-methylaniline
CID 107591726
2-bromo-5-chloro-N-(2-cyclopentylethyl)-4-methylaniline
CID 114191103
5-bromo-4-fluoro-2-methyl-N-nonylaniline
CID 107591959
5-bromo-N-(2-cyclopropylethyl)-4-fluoro-2-nitroaniline
CID 116737213
5-bromo-4-fluoro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 107591892
1-N-(2-cyclopentylethyl)-2-fluorobenzene-1,4-diamine
CID 60919358
N-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline
CID 104757559
4-bromo-N-(cyclopentylmethyl)-2,5-difluoroaniline
CID 107609807
5-bromo-4-fluoro-2-methyl-N-(3-methylbut-3-enyl)aniline
CID 107591926
4-(5-bromo-4-fluoro-2-methylanilino)butanoic acid
CID 107591963
5-bromo-N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-fluoro-2-methylaniline
CID 107592054
2-[(5-bromo-4-fluoro-2-methylanilino)methyl]-2-methylpropane-1,3-diol
CID 107592068

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyclohexylethyl)-4-fluoro-2-methylaniline?
The IUPAC name of 5-bromo-N-(2-cyclohexylethyl)-4-fluoro-2-methylaniline (CID 107591544) is 5-bromo-N-(2-cyclohexylethyl)-4-fluoro-2-methylaniline.
What is the SMILES notation for 5-bromo-N-(2-cyclohexylethyl)-4-fluoro-2-methylaniline?
The canonical SMILES for 5-bromo-N-(2-cyclohexylethyl)-4-fluoro-2-methylaniline is Cc1cc(F)c(Br)cc1NCCC1CCCCC1.
What is the InChIKey of 5-bromo-N-(2-cyclohexylethyl)-4-fluoro-2-methylaniline?
The InChIKey is LHIXQGKGAGYTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-11-9-14(17)13(16)10-15(11)18-8-7-12-5-3-2-4-6-12/h9-10,12,18H,2-8H2,1H3.
What are the key properties of 5-bromo-N-(2-cyclohexylethyl)-4-fluoro-2-methylaniline?
5-bromo-N-(2-cyclohexylethyl)-4-fluoro-2-methylaniline has a molecular weight of 314.24 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyclohexylethyl)-4-fluoro-2-methylaniline is sourced from PubChem (CID 107591544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).