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

C13H19BrFN — CID 107591186

IUPAC5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline
SMILESCCC(CC)CNc1cc(Br)c(F)cc1C
InChIInChI=1S/C13H19BrFN/c1-4-10(5-2)8-16-13-7-11(14)12(15)6-9(13)3/h6-7,10,16H,4-5,8H2,1-3H3
InChIKeyDZXCBHZQEOXELF-UHFFFAOYSA-N
MW288.20 g/mol
LogP4.74
Rot. Bonds5

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

5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline (PubChem CID 107591186) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline
PubChem CID107591186
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline
SMILESCCC(CC)CNc1cc(Br)c(F)cc1C
InChIInChI=1S/C13H19BrFN/c1-4-10(5-2)8-16-13-7-11(14)12(15)6-9(13)3/h6-7,10,16H,4-5,8H2,1-3H3
InChIKeyDZXCBHZQEOXELF-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline
CID 107592069
ethyl 3-(5-bromo-4-fluoro-2-methylanilino)-2-methylpropanoate
CID 107591791
1-(5-bromo-4-fluoro-2-methylanilino)-3-ethoxypropan-2-ol
CID 107591894
5-bromo-4-fluoro-2-methyl-N-nonylaniline
CID 107591959
2-[(5-bromo-4-fluoro-2-methylanilino)methyl]-2-methylpropane-1,3-diol
CID 107592068
2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol
CID 107591865
1-(5-bromo-4-fluoro-2-methylanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 107591853
2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 107591968
methyl 2-acetamido-3-(5-bromo-4-fluoro-2-methylanilino)propanoate
CID 107592911
2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
CID 107592129
N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline
CID 43716743
5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline
CID 107591486

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline?
The IUPAC name of 5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline (CID 107591186) is 5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline.
What is the SMILES notation for 5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline?
The canonical SMILES for 5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline is CCC(CC)CNc1cc(Br)c(F)cc1C.
What is the InChIKey of 5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline?
The InChIKey is DZXCBHZQEOXELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-4-10(5-2)8-16-13-7-11(14)12(15)6-9(13)3/h6-7,10,16H,4-5,8H2,1-3H3.
What are the key properties of 5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline?
5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline has a molecular weight of 288.20 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline is sourced from PubChem (CID 107591186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).