N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline

C15H12Cl2F3N — CID 43103861

IUPACN-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline
SMILESCC(Nc1ccccc1C(F)(F)F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2F3N/c1-9(11-8-10(16)6-7-13(11)17)21-14-5-3-2-4-12(14)15(18,19)20/h2-9,21H,1H3
InChIKeyUBCPCANLRKOLDA-UHFFFAOYSA-N
MW334.17 g/mol
LogP6.19
Rot. Bonds3

About N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline

N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline (PubChem CID 43103861) has the molecular formula C15H12Cl2F3N and a molecular weight of 334.17 g/mol. Its IUPAC name is N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline
PubChem CID43103861
Molecular FormulaC15H12Cl2F3N
Molecular Weight334.17 g/mol
Exact Mass333.03
IUPAC NameN-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline
SMILESCC(Nc1ccccc1C(F)(F)F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2F3N/c1-9(11-8-10(16)6-7-13(11)17)21-14-5-3-2-4-12(14)15(18,19)20/h2-9,21H,1H3
InChIKeyUBCPCANLRKOLDA-UHFFFAOYSA-N
XLogP6.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.17
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline
CID 43095344
2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid
CID 43322111
1,4-dichloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene
CID 63436291
3-chloro-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43098144
5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline
CID 63478769
2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene
CID 63444855
2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
CID 43081262
5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43106131
N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxypyridin-3-amine
CID 43721804
N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine
CID 43680270
5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43555398
2-methylsulfanyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43683371

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline (CID 43103861) is N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline is CC(Nc1ccccc1C(F)(F)F)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline?
The InChIKey is UBCPCANLRKOLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3N/c1-9(11-8-10(16)6-7-13(11)17)21-14-5-3-2-4-12(14)15(18,19)20/h2-9,21H,1H3.
What are the key properties of N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline?
N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline has a molecular weight of 334.17 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 43103861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).