4-bromo-N-(2,2-dimethylpropyl)-3-fluoroaniline

C11H15BrFN — CID 65436695

IUPAC4-bromo-N-(2,2-dimethylpropyl)-3-fluoroaniline
SMILESCC(C)(C)CNc1ccc(Br)c(F)c1
InChIInChI=1S/C11H15BrFN/c1-11(2,3)7-14-8-4-5-9(12)10(13)6-8/h4-6,14H,7H2,1-3H3
InChIKeyPJCKVLKGKWJDII-UHFFFAOYSA-N
MW260.15 g/mol
LogP4.05
Rot. Bonds2

About 4-bromo-N-(2,2-dimethylpropyl)-3-fluoroaniline

4-bromo-N-(2,2-dimethylpropyl)-3-fluoroaniline (PubChem CID 65436695) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is 4-bromo-N-(2,2-dimethylpropyl)-3-fluoroaniline.

Molecular Properties

Compound Name4-bromo-N-(2,2-dimethylpropyl)-3-fluoroaniline
PubChem CID65436695
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name4-bromo-N-(2,2-dimethylpropyl)-3-fluoroaniline
SMILESCC(C)(C)CNc1ccc(Br)c(F)c1
InChIInChI=1S/C11H15BrFN/c1-11(2,3)7-14-8-4-5-9(12)10(13)6-8/h4-6,14H,7H2,1-3H3
InChIKeyPJCKVLKGKWJDII-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 3-(4-bromo-3-fluoroanilino)-2,2-dimethylpropanoate
CID 79624702
4-(4-bromo-3-fluoroanilino)-2-methylbutan-2-ol
CID 79356094
4-bromo-3-fluoro-N-prop-2-ynylaniline
CID 65433721
N-(2,2-dimethylpropyl)-3-fluoro-4-methylsulfanylaniline;methane
CID 158387841
N-(2,2-dimethylpropyl)-3-fluoro-4-[(S)-methylsulfinyl]aniline
CID 97236799
3-(4-bromo-3-fluoroanilino)-2-methylpropanenitrile
CID 65437513
4-bromo-N-(3-ethoxypropyl)-3-fluoroaniline
CID 65437705
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline
CID 65437532
4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-3-fluoroaniline
CID 106263519
N-(4-bromo-3-fluorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 65436510
1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene
CID 168841969
1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol
CID 118665853

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2-dimethylpropyl)-3-fluoroaniline?
The IUPAC name of 4-bromo-N-(2,2-dimethylpropyl)-3-fluoroaniline (CID 65436695) is 4-bromo-N-(2,2-dimethylpropyl)-3-fluoroaniline.
What is the SMILES notation for 4-bromo-N-(2,2-dimethylpropyl)-3-fluoroaniline?
The canonical SMILES for 4-bromo-N-(2,2-dimethylpropyl)-3-fluoroaniline is CC(C)(C)CNc1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(2,2-dimethylpropyl)-3-fluoroaniline?
The InChIKey is PJCKVLKGKWJDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN/c1-11(2,3)7-14-8-4-5-9(12)10(13)6-8/h4-6,14H,7H2,1-3H3.
What are the key properties of 4-bromo-N-(2,2-dimethylpropyl)-3-fluoroaniline?
4-bromo-N-(2,2-dimethylpropyl)-3-fluoroaniline has a molecular weight of 260.15 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,2-dimethylpropyl)-3-fluoroaniline is sourced from PubChem (CID 65436695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).