N-[1-(3-bromophenyl)ethyl]-4-chloro-2-(trifluoromethyl)aniline

C15H12BrClF3N — CID 43093498

IUPACN-[1-(3-bromophenyl)ethyl]-4-chloro-2-(trifluoromethyl)aniline
SMILESCC(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(Br)c1
InChIInChI=1S/C15H12BrClF3N/c1-9(10-3-2-4-11(16)7-10)21-14-6-5-12(17)8-13(14)15(18,19)20/h2-9,21H,1H3
InChIKeyWLNRKBOJIOGTPO-UHFFFAOYSA-N
MW378.62 g/mol
LogP6.29
Rot. Bonds3

About N-[1-(3-bromophenyl)ethyl]-4-chloro-2-(trifluoromethyl)aniline

N-[1-(3-bromophenyl)ethyl]-4-chloro-2-(trifluoromethyl)aniline (PubChem CID 43093498) has the molecular formula C15H12BrClF3N and a molecular weight of 378.62 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-4-chloro-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-4-chloro-2-(trifluoromethyl)aniline
PubChem CID43093498
Molecular FormulaC15H12BrClF3N
Molecular Weight378.62 g/mol
Exact Mass376.98
IUPAC NameN-[1-(3-bromophenyl)ethyl]-4-chloro-2-(trifluoromethyl)aniline
SMILESCC(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(Br)c1
InChIInChI=1S/C15H12BrClF3N/c1-9(10-3-2-4-11(16)7-10)21-14-6-5-12(17)8-13(14)15(18,19)20/h2-9,21H,1H3
InChIKeyWLNRKBOJIOGTPO-UHFFFAOYSA-N
XLogP6.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.62
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[1-(3-methylphenyl)ethyl]-2-(trifluoromethyl)aniline
CID 43760260
N-[1-(3-bromophenyl)ethyl]-2-chloroaniline
CID 43104592
N-[1-(3-bromophenyl)ethyl]-2-fluoroaniline
CID 43194878
3-bromo-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43100997
2-bromo-4-chloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 81264080
5-chloro-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43094249
N-[1-(3-bromophenyl)ethyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562409
3-[1-(2-bromo-4-chloroanilino)ethyl]phenol
CID 81263630
1-[1-(4-bromophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 3866412
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline
CID 43093379
4-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline
CID 63990811
4-N-[1-(3-bromophenyl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564530

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-4-chloro-2-(trifluoromethyl)aniline?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-4-chloro-2-(trifluoromethyl)aniline (CID 43093498) is N-[1-(3-bromophenyl)ethyl]-4-chloro-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-4-chloro-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-4-chloro-2-(trifluoromethyl)aniline is CC(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-4-chloro-2-(trifluoromethyl)aniline?
The InChIKey is WLNRKBOJIOGTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClF3N/c1-9(10-3-2-4-11(16)7-10)21-14-6-5-12(17)8-13(14)15(18,19)20/h2-9,21H,1H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-4-chloro-2-(trifluoromethyl)aniline?
N-[1-(3-bromophenyl)ethyl]-4-chloro-2-(trifluoromethyl)aniline has a molecular weight of 378.62 g/mol, XLogP of 6.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-4-chloro-2-(trifluoromethyl)aniline is sourced from PubChem (CID 43093498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).