4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline

C11H14BrF2N — CID 65468335

IUPAC4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline
SMILESCCC(C)CNc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H14BrF2N/c1-3-7(2)6-15-11-9(13)4-8(12)5-10(11)14/h4-5,7,15H,3,6H2,1-2H3
InChIKeyQVIPHPUYIPESKL-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.19
Rot. Bonds4

About 4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline

4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline (PubChem CID 65468335) has the molecular formula C11H14BrF2N and a molecular weight of 278.14 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline
PubChem CID65468335
Molecular FormulaC11H14BrF2N
Molecular Weight278.14 g/mol
Exact Mass277.03
IUPAC Name4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline
SMILESCCC(C)CNc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H14BrF2N/c1-3-7(2)6-15-11-9(13)4-8(12)5-10(11)14/h4-5,7,15H,3,6H2,1-2H3
InChIKeyQVIPHPUYIPESKL-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline
CID 65467183
4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline
CID 65468716
4-bromo-N-(2,2-diethoxyethyl)-2,6-difluoroaniline
CID 81094516
4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline
CID 65470059
4-bromo-2,6-difluoro-N-pentan-3-ylaniline
CID 65469105
4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline
CID 107876218
5-bromo-1,3-difluoro-2-[(3R)-3-methylpentyl]benzene
CID 58807411
4-bromo-N-(2-methylbutyl)aniline
CID 43201294
2,4-dibromo-N-(2-methylbutyl)aniline
CID 43683023
2-[(4-bromo-2,6-difluoroanilino)methyl]-3,3,3-trifluoropropanenitrile
CID 103367352
4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
CID 55210019
4-bromo-2-fluoro-N-(2-methylpentyl)aniline
CID 43102033

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline?
The IUPAC name of 4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline (CID 65468335) is 4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline?
The canonical SMILES for 4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline is CCC(C)CNc1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline?
The InChIKey is QVIPHPUYIPESKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2N/c1-3-7(2)6-15-11-9(13)4-8(12)5-10(11)14/h4-5,7,15H,3,6H2,1-2H3.
What are the key properties of 4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline?
4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline has a molecular weight of 278.14 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline is sourced from PubChem (CID 65468335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).