4-bromo-3-fluoro-N-(3-methylbutan-2-yl)aniline

C11H15BrFN — CID 65436900

IUPAC4-bromo-3-fluoro-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C11H15BrFN/c1-7(2)8(3)14-9-4-5-10(12)11(13)6-9/h4-8,14H,1-3H3
InChIKeySAEIHCXMAFSLDR-UHFFFAOYSA-N
MW260.15 g/mol
LogP4.04
Rot. Bonds3

About 4-bromo-3-fluoro-N-(3-methylbutan-2-yl)aniline

4-bromo-3-fluoro-N-(3-methylbutan-2-yl)aniline (PubChem CID 65436900) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(3-methylbutan-2-yl)aniline
PubChem CID65436900
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name4-bromo-3-fluoro-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C11H15BrFN/c1-7(2)8(3)14-9-4-5-10(12)11(13)6-9/h4-8,14H,1-3H3
InChIKeySAEIHCXMAFSLDR-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65437692
2-(4-bromo-3-fluoroanilino)-3-methylbutanoic acid
CID 103252685
2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide
CID 65437707
(2R)-N-[(4-bromo-3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 97357883
4-bromo-3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 65437825
4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114829992
2-[1-(4-bromo-3-fluoroanilino)ethyl]-5-methylphenol
CID 65435702
2-(4-bromo-3-fluoroanilino)-N-propylpropanamide
CID 65437335
4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline
CID 65436466
2-amino-N-(4-bromo-3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119280061
2-(4-bromo-3-fluoroanilino)pentanenitrile
CID 175278343
3-(4-bromo-3-fluoroanilino)-2-methylpropanenitrile
CID 65437513

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 4-bromo-3-fluoro-N-(3-methylbutan-2-yl)aniline (CID 65436900) is 4-bromo-3-fluoro-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 4-bromo-3-fluoro-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 4-bromo-3-fluoro-N-(3-methylbutan-2-yl)aniline is CC(C)C(C)Nc1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(3-methylbutan-2-yl)aniline?
The InChIKey is SAEIHCXMAFSLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN/c1-7(2)8(3)14-9-4-5-10(12)11(13)6-9/h4-8,14H,1-3H3.
What are the key properties of 4-bromo-3-fluoro-N-(3-methylbutan-2-yl)aniline?
4-bromo-3-fluoro-N-(3-methylbutan-2-yl)aniline has a molecular weight of 260.15 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 65436900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).