4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline

C15H19BrF3N — CID 107572276

IUPAC4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESCc1cc(NC2CCCCC2C(F)(F)F)cc(C)c1Br
InChIInChI=1S/C15H19BrF3N/c1-9-7-11(8-10(2)14(9)16)20-13-6-4-3-5-12(13)15(17,18)19/h7-8,12-13,20H,3-6H2,1-2H3
InChIKeyGTMWPRYFSJDBNH-UHFFFAOYSA-N
MW350.22 g/mol
LogP5.60
Rot. Bonds2

About 4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline

4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 107572276) has the molecular formula C15H19BrF3N and a molecular weight of 350.22 g/mol. Its IUPAC name is 4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
PubChem CID107572276
Molecular FormulaC15H19BrF3N
Molecular Weight350.22 g/mol
Exact Mass349.07
IUPAC Name4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESCc1cc(NC2CCCCC2C(F)(F)F)cc(C)c1Br
InChIInChI=1S/C15H19BrF3N/c1-9-7-11(8-10(2)14(9)16)20-13-6-4-3-5-12(13)15(17,18)19/h7-8,12-13,20H,3-6H2,1-2H3
InChIKeyGTMWPRYFSJDBNH-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.22
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline
CID 107571840
4-bromo-3,5-dimethyl-N-(2-propan-2-ylcyclohexyl)aniline
CID 107571902
3,5-dichloro-4-fluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 107572992
3-bromo-4-fluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 104775706
4-bromo-3-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 82857596
4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64757052
5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 102853225
4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758056
3-methyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]phenol
CID 64759514
3-chloro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758672
2,4-dibromo-5-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 103412212
5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758489

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline (CID 107572276) is 4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline is Cc1cc(NC2CCCCC2C(F)(F)F)cc(C)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is GTMWPRYFSJDBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3N/c1-9-7-11(8-10(2)14(9)16)20-13-6-4-3-5-12(13)15(17,18)19/h7-8,12-13,20H,3-6H2,1-2H3.
What are the key properties of 4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline?
4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline has a molecular weight of 350.22 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 107572276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).