3-chloro-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline

C14H12ClF3N2 — CID 116699570

IUPAC3-chloro-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Cl)cc(NCCc2ccncc2)c1
InChIInChI=1S/C14H12ClF3N2/c15-12-7-11(14(16,17)18)8-13(9-12)20-6-3-10-1-4-19-5-2-10/h1-2,4-5,7-9,20H,3,6H2
InChIKeyYGEVAHMDWNYCDF-UHFFFAOYSA-N
MW300.71 g/mol
LogP4.41
Rot. Bonds4

About 3-chloro-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline

3-chloro-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline (PubChem CID 116699570) has the molecular formula C14H12ClF3N2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 3-chloro-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline
PubChem CID116699570
Molecular FormulaC14H12ClF3N2
Molecular Weight300.71 g/mol
Exact Mass300.06
IUPAC Name3-chloro-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Cl)cc(NCCc2ccncc2)c1
InChIInChI=1S/C14H12ClF3N2/c15-12-7-11(14(16,17)18)8-13(9-12)20-6-3-10-1-4-19-5-2-10/h1-2,4-5,7-9,20H,3,6H2
InChIKeyYGEVAHMDWNYCDF-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[3-[2-[3,5-bis(trifluoromethyl)anilino]ethyl]phenyl]ethyl]-3,5-bis(trifluoromethyl)aniline
CID 139132044
3-chloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
CID 83107247
3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 116699138
3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline
CID 116699062
N-but-3-ynyl-3-chloro-5-(trifluoromethyl)aniline
CID 116699368
3,5-dichloro-N-(pyridin-4-ylmethyl)aniline
CID 964331
5-chloro-2-N-(2-pyridin-4-ylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 164614922
3-chloro-N-nonyl-5-(trifluoromethyl)aniline
CID 116699553
3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)aniline
CID 102881103
2-[3-chloro-5-(trifluoromethyl)anilino]acetonitrile
CID 116699571
4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol
CID 116699478
4-[3-chloro-5-(trifluoromethyl)anilino]butanenitrile
CID 116699505

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline?
The IUPAC name of 3-chloro-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline (CID 116699570) is 3-chloro-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-chloro-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-chloro-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline is FC(F)(F)c1cc(Cl)cc(NCCc2ccncc2)c1.
What is the InChIKey of 3-chloro-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline?
The InChIKey is YGEVAHMDWNYCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2/c15-12-7-11(14(16,17)18)8-13(9-12)20-6-3-10-1-4-19-5-2-10/h1-2,4-5,7-9,20H,3,6H2.
What are the key properties of 3-chloro-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline?
3-chloro-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline has a molecular weight of 300.71 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 116699570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).