4-bromo-N,3-dimethyl-5-(trifluoromethyl)aniline

C9H9BrF3N — CID 129132044

IUPAC4-bromo-N,3-dimethyl-5-(trifluoromethyl)aniline
SMILESCNc1cc(C)c(Br)c(C(F)(F)F)c1
InChIInChI=1S/C9H9BrF3N/c1-5-3-6(14-2)4-7(8(5)10)9(11,12)13/h3-4,14H,1-2H3
InChIKeyATJSANZVBCPLRQ-UHFFFAOYSA-N
MW268.08 g/mol
LogP3.82
Rot. Bonds1

About 4-bromo-N,3-dimethyl-5-(trifluoromethyl)aniline

4-bromo-N,3-dimethyl-5-(trifluoromethyl)aniline (PubChem CID 129132044) has the molecular formula C9H9BrF3N and a molecular weight of 268.08 g/mol. Its IUPAC name is 4-bromo-N,3-dimethyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N,3-dimethyl-5-(trifluoromethyl)aniline
PubChem CID129132044
Molecular FormulaC9H9BrF3N
Molecular Weight268.08 g/mol
Exact Mass266.99
IUPAC Name4-bromo-N,3-dimethyl-5-(trifluoromethyl)aniline
SMILESCNc1cc(C)c(Br)c(C(F)(F)F)c1
InChIInChI=1S/C9H9BrF3N/c1-5-3-6(14-2)4-7(8(5)10)9(11,12)13/h3-4,14H,1-2H3
InChIKeyATJSANZVBCPLRQ-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-chloro-4-methyl-3-(trifluoromethyl)aniline
CID 162568160
3,5-difluoro-N-methyl-4-(trifluoromethyl)aniline
CID 70839125
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CID 177190079
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CID 104534939
4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 107572276
3-fluoro-N-methyl-4-(trifluoromethyl)aniline;hydrochloride
CID 155973042
N,2-dimethyl-6-(trifluoromethyl)pyridin-4-amine
CID 82404221
4-N-(3-bromo-4-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
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CID 114329543
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,3-dimethyl-5-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N,3-dimethyl-5-(trifluoromethyl)aniline (CID 129132044) is 4-bromo-N,3-dimethyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N,3-dimethyl-5-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N,3-dimethyl-5-(trifluoromethyl)aniline is CNc1cc(C)c(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N,3-dimethyl-5-(trifluoromethyl)aniline?
The InChIKey is ATJSANZVBCPLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3N/c1-5-3-6(14-2)4-7(8(5)10)9(11,12)13/h3-4,14H,1-2H3.
What are the key properties of 4-bromo-N,3-dimethyl-5-(trifluoromethyl)aniline?
4-bromo-N,3-dimethyl-5-(trifluoromethyl)aniline has a molecular weight of 268.08 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,3-dimethyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 129132044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).