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

C10H12BrF2N — CID 65468716

IUPAC4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H12BrF2N/c1-6(2)5-14-10-8(12)3-7(11)4-9(10)13/h3-4,6,14H,5H2,1-2H3
InChIKeySJOWECRZNIBNGZ-UHFFFAOYSA-N
MW264.11 g/mol
LogP3.80
Rot. Bonds3

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

4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline (PubChem CID 65468716) has the molecular formula C10H12BrF2N and a molecular weight of 264.11 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline
PubChem CID65468716
Molecular FormulaC10H12BrF2N
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H12BrF2N/c1-6(2)5-14-10-8(12)3-7(11)4-9(10)13/h3-4,6,14H,5H2,1-2H3
InChIKeySJOWECRZNIBNGZ-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 53.80
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-N-(2-ethylbutyl)-2,6-difluoroaniline
CID 65467183
4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline
CID 65470059
4-bromo-N-(2,2-diethoxyethyl)-2,6-difluoroaniline
CID 81094516
4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline
CID 107876218
2,6-difluoro-N-(2-methylpropyl)aniline
CID 28974507
3,5-dibromo-N-(2-methylpropyl)aniline
CID 154120132
2-[(4-bromo-2,6-difluoroanilino)methyl]-3,3,3-trifluoropropanenitrile
CID 103367352
4-bromo-2,6-difluoro-N-pentan-3-ylaniline
CID 65469105
4-bromo-2,6-difluoro-N-prop-2-enylaniline
CID 65469758
3-(4-bromo-2,6-difluoroanilino)-2-phenylpropanenitrile
CID 65467468
4-(4-bromo-2,6-difluoroanilino)butanenitrile
CID 65467644

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline?
The IUPAC name of 4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline (CID 65468716) is 4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline?
The canonical SMILES for 4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline is CC(C)CNc1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline?
The InChIKey is SJOWECRZNIBNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2N/c1-6(2)5-14-10-8(12)3-7(11)4-9(10)13/h3-4,6,14H,5H2,1-2H3.
What are the key properties of 4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline?
4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline has a molecular weight of 264.11 g/mol, XLogP of 3.80, 3 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-methylpropyl)aniline is sourced from PubChem (CID 65468716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).