2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline

C19H13BrF3N — CID 169108707

IUPAC2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline
SMILESFC(F)(F)c1ccc(Nc2ccccc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H13BrF3N/c20-15-9-5-13(6-10-15)17-3-1-2-4-18(17)24-16-11-7-14(8-12-16)19(21,22)23/h1-12,24H
InChIKeyOXQZPHQFRYNKMF-UHFFFAOYSA-N
MW392.22 g/mol
LogP6.88
Rot. Bonds3

About 2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline

2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 169108707) has the molecular formula C19H13BrF3N and a molecular weight of 392.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID169108707
Molecular FormulaC19H13BrF3N
Molecular Weight392.22 g/mol
Exact Mass391.02
IUPAC Name2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline
SMILESFC(F)(F)c1ccc(Nc2ccccc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H13BrF3N/c20-15-9-5-13(6-10-15)17-3-1-2-4-18(17)24-16-11-7-14(8-12-16)19(21,22)23/h1-12,24H
InChIKeyOXQZPHQFRYNKMF-UHFFFAOYSA-N
XLogP6.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.22
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]cyanamide
CID 175923781
1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol
CID 169108594
N,2-bis(4-tert-butylphenyl)aniline
CID 176593215
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
N-(4-tert-butylphenyl)-2-phenylaniline
CID 139372366
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
2-(2-bromoethynyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 143581893
2-([1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 175930738
4-bromo-1-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 29066934
4-bromo-N-(4-bromophenyl)-2-(2-phenylphenyl)aniline
CID 141276570
benzene;N,2-diphenylaniline
CID 175029921
1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine
CID 141276562

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline (CID 169108707) is 2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline is FC(F)(F)c1ccc(Nc2ccccc2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is OXQZPHQFRYNKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrF3N/c20-15-9-5-13(6-10-15)17-3-1-2-4-18(17)24-16-11-7-14(8-12-16)19(21,22)23/h1-12,24H.
What are the key properties of 2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline?
2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 392.22 g/mol, XLogP of 6.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 169108707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).