4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline

C12H16BrF2N — CID 65467183

IUPAC4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline
SMILESCCC(CC)CNc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H16BrF2N/c1-3-8(4-2)7-16-12-10(14)5-9(13)6-11(12)15/h5-6,8,16H,3-4,7H2,1-2H3
InChIKeyLIUZZIQKESTZEE-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.58
Rot. Bonds5

About 4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline

4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline (PubChem CID 65467183) has the molecular formula C12H16BrF2N and a molecular weight of 292.17 g/mol. Its IUPAC name is 4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline.

Molecular Properties

Compound Name4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline
PubChem CID65467183
Molecular FormulaC12H16BrF2N
Molecular Weight292.17 g/mol
Exact Mass291.04
IUPAC Name4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline
SMILESCCC(CC)CNc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H16BrF2N/c1-3-8(4-2)7-16-12-10(14)5-9(13)6-11(12)15/h5-6,8,16H,3-4,7H2,1-2H3
InChIKeyLIUZZIQKESTZEE-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline
CID 65468335
4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline
CID 65468716
4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline
CID 28993156
4-bromo-N-(2,2-diethoxyethyl)-2,6-difluoroaniline
CID 81094516
4-bromo-2,6-difluoro-N-pentan-3-ylaniline
CID 65469105
4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline
CID 65470059
4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline
CID 107876218
5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline
CID 107591186
3-bromo-N-(2-ethylbutyl)-5-(trifluoromethyl)aniline
CID 65491796
2-[(4-bromo-2,6-difluoroanilino)methyl]-3,3,3-trifluoropropanenitrile
CID 103367352
4-bromo-2,6-difluoro-N-prop-2-enylaniline
CID 65469758
3-(4-bromo-2,6-difluoroanilino)-2-phenylpropanenitrile
CID 65467468

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline?
The IUPAC name of 4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline (CID 65467183) is 4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline.
What is the SMILES notation for 4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline?
The canonical SMILES for 4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline is CCC(CC)CNc1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline?
The InChIKey is LIUZZIQKESTZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF2N/c1-3-8(4-2)7-16-12-10(14)5-9(13)6-11(12)15/h5-6,8,16H,3-4,7H2,1-2H3.
What are the key properties of 4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline?
4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline has a molecular weight of 292.17 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline is sourced from PubChem (CID 65467183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).