4-bromo-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline

C14H17BrF3N — CID 43228574

IUPAC4-bromo-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NCC2CCCCC2)ccc1Br
InChIInChI=1S/C14H17BrF3N/c15-13-7-6-11(8-12(13)14(16,17)18)19-9-10-4-2-1-3-5-10/h6-8,10,19H,1-5,9H2
InChIKeyBQBDWCAUEPCVEO-UHFFFAOYSA-N
MW336.20 g/mol
LogP5.46
Rot. Bonds3

About 4-bromo-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline

4-bromo-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline (PubChem CID 43228574) has the molecular formula C14H17BrF3N and a molecular weight of 336.20 g/mol. Its IUPAC name is 4-bromo-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline
PubChem CID43228574
Molecular FormulaC14H17BrF3N
Molecular Weight336.20 g/mol
Exact Mass335.05
IUPAC Name4-bromo-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NCC2CCCCC2)ccc1Br
InChIInChI=1S/C14H17BrF3N/c15-13-7-6-11(8-12(13)14(16,17)18)19-9-10-4-2-1-3-5-10/h6-8,10,19H,1-5,9H2
InChIKeyBQBDWCAUEPCVEO-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.20
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-N-(cyclohexylmethyl)-3-(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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline (CID 43228574) is 4-bromo-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline is FC(F)(F)c1cc(NCC2CCCCC2)ccc1Br.
What is the InChIKey of 4-bromo-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline?
The InChIKey is BQBDWCAUEPCVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3N/c15-13-7-6-11(8-12(13)14(16,17)18)19-9-10-4-2-1-3-5-10/h6-8,10,19H,1-5,9H2.
What are the key properties of 4-bromo-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline?
4-bromo-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline has a molecular weight of 336.20 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 43228574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).