3-bromo-N-cyclohexyl-5-(trifluoromethyl)aniline

C13H15BrF3N — CID 65491603

IUPAC3-bromo-N-cyclohexyl-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Br)cc(NC2CCCCC2)c1
InChIInChI=1S/C13H15BrF3N/c14-10-6-9(13(15,16)17)7-12(8-10)18-11-4-2-1-3-5-11/h6-8,11,18H,1-5H2
InChIKeyOPUMKEDPIJFQLK-UHFFFAOYSA-N
MW322.17 g/mol
LogP5.21
Rot. Bonds2

About 3-bromo-N-cyclohexyl-5-(trifluoromethyl)aniline

3-bromo-N-cyclohexyl-5-(trifluoromethyl)aniline (PubChem CID 65491603) has the molecular formula C13H15BrF3N and a molecular weight of 322.17 g/mol. Its IUPAC name is 3-bromo-N-cyclohexyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-bromo-N-cyclohexyl-5-(trifluoromethyl)aniline
PubChem CID65491603
Molecular FormulaC13H15BrF3N
Molecular Weight322.17 g/mol
Exact Mass321.03
IUPAC Name3-bromo-N-cyclohexyl-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Br)cc(NC2CCCCC2)c1
InChIInChI=1S/C13H15BrF3N/c14-10-6-9(13(15,16)17)7-12(8-10)18-11-4-2-1-3-5-11/h6-8,11,18H,1-5H2
InChIKeyOPUMKEDPIJFQLK-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.17
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-bromo-N-cyclohexyl-5-(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(4-ethylcyclohexyl)-5-(trifluoromethyl)aniline
CID 65491009
N-cyclopropyl-3,5-bis(trifluoromethyl)aniline
CID 86655697
2-[3-bromo-5-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 65491811
3-bromo-N-cyclohexyl-5-(trifluoromethoxy)aniline
CID 172649953
3-bromo-N-cyclohex-2-en-1-yl-5-(trifluoromethyl)aniline
CID 107907161
3-bromo-N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)aniline
CID 79835004
3-bromo-5-(cyclohexylamino)benzoic acid
CID 82933000
N-[3-bromo-5-(trifluoromethyl)phenyl]-1,5-dimethylpyrrolidin-3-amine
CID 81468484
3-bromo-N-cyclohexyl-5-methoxyaniline
CID 82857692
3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline
CID 65491386
N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine
CID 63455762
N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine
CID 63453853

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclohexyl-5-(trifluoromethyl)aniline?
The IUPAC name of 3-bromo-N-cyclohexyl-5-(trifluoromethyl)aniline (CID 65491603) is 3-bromo-N-cyclohexyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-bromo-N-cyclohexyl-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-bromo-N-cyclohexyl-5-(trifluoromethyl)aniline is FC(F)(F)c1cc(Br)cc(NC2CCCCC2)c1.
What is the InChIKey of 3-bromo-N-cyclohexyl-5-(trifluoromethyl)aniline?
The InChIKey is OPUMKEDPIJFQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3N/c14-10-6-9(13(15,16)17)7-12(8-10)18-11-4-2-1-3-5-11/h6-8,11,18H,1-5H2.
What are the key properties of 3-bromo-N-cyclohexyl-5-(trifluoromethyl)aniline?
3-bromo-N-cyclohexyl-5-(trifluoromethyl)aniline has a molecular weight of 322.17 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclohexyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 65491603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).