4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline

C14H9BrCl2F3N — CID 28993149

IUPAC4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESFC(F)(F)c1ccc(CNc2c(Cl)cc(Br)cc2Cl)cc1
InChIInChI=1S/C14H9BrCl2F3N/c15-10-5-11(16)13(12(17)6-10)21-7-8-1-3-9(4-2-8)14(18,19)20/h1-6,21H,7H2
InChIKeyVAQRKUPFVGCYQG-UHFFFAOYSA-N
MW399.04 g/mol
LogP6.39
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline

4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 28993149) has the molecular formula C14H9BrCl2F3N and a molecular weight of 399.04 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID28993149
Molecular FormulaC14H9BrCl2F3N
Molecular Weight399.04 g/mol
Exact Mass396.92
IUPAC Name4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESFC(F)(F)c1ccc(CNc2c(Cl)cc(Br)cc2Cl)cc1
InChIInChI=1S/C14H9BrCl2F3N/c15-10-5-11(16)13(12(17)6-10)21-7-8-1-3-9(4-2-8)14(18,19)20/h1-6,21H,7H2
InChIKeyVAQRKUPFVGCYQG-UHFFFAOYSA-N
XLogP6.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.04
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 83078179
4-bromo-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 63449383
4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 63425141
2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43736693
4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline
CID 28993157
4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43425410
N-[(3-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)aniline
CID 79698935
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29031697
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 29042343
5-bromo-2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 79072897
4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline
CID 113326312

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (CID 28993149) is 4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is FC(F)(F)c1ccc(CNc2c(Cl)cc(Br)cc2Cl)cc1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is VAQRKUPFVGCYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2F3N/c15-10-5-11(16)13(12(17)6-10)21-7-8-1-3-9(4-2-8)14(18,19)20/h1-6,21H,7H2.
What are the key properties of 4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 399.04 g/mol, XLogP of 6.39, 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-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 28993149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).