4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline

C15H12Br2F3N — CID 43680401

IUPAC4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline
SMILESCC(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H12Br2F3N/c1-9(10-2-4-11(16)5-3-10)21-12-6-7-14(17)13(8-12)15(18,19)20/h2-9,21H,1H3
InChIKeyMYEKEWVUIPIWLA-UHFFFAOYSA-N
MW423.07 g/mol
LogP6.40
Rot. Bonds3

About 4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline

4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline (PubChem CID 43680401) has the molecular formula C15H12Br2F3N and a molecular weight of 423.07 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline
PubChem CID43680401
Molecular FormulaC15H12Br2F3N
Molecular Weight423.07 g/mol
Exact Mass420.93
IUPAC Name4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline
SMILESCC(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H12Br2F3N/c1-9(10-2-4-11(16)5-3-10)21-12-6-7-14(17)13(8-12)15(18,19)20/h2-9,21H,1H3
InChIKeyMYEKEWVUIPIWLA-UHFFFAOYSA-N
XLogP6.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.07
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-N-[1-(4-bromophenyl)ethyl]-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

Related Compounds

4-bromo-N-(1-thiophen-3-ylethyl)-3-(trifluoromethyl)aniline
CID 63426220
2-[1-[4-bromo-3-(trifluoromethyl)anilino]ethyl]phenol
CID 43680440
4-bromo-N-heptan-4-yl-3-(trifluoromethyl)aniline
CID 43680414
2-[4-bromo-3-(trifluoromethyl)anilino]propanamide
CID 60672750
4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline
CID 63455967
N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline
CID 43721439
4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline
CID 63455608
4-[1-[4-chloro-3-(trifluoromethyl)anilino]ethyl]phenol
CID 43245794
4-bromo-N-[1-(4-bromophenyl)ethyl]-3-nitroaniline
CID 79767910
4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline
CID 43680432
N-[1-(4-bromophenyl)ethyl]naphthalen-2-amine
CID 43680266
[4-bromo-3-(trifluoromethyl)anilino]-(4-methylanilino)methanol
CID 178016795

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline (CID 43680401) is 4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline is CC(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline?
The InChIKey is MYEKEWVUIPIWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2F3N/c1-9(10-2-4-11(16)5-3-10)21-12-6-7-14(17)13(8-12)15(18,19)20/h2-9,21H,1H3.
What are the key properties of 4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline?
4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline has a molecular weight of 423.07 g/mol, XLogP of 6.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 43680401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).