2-chloro-N-(1-pyridin-3-ylethyl)-6-(trifluoromethyl)aniline

C14H12ClF3N2 — CID 43121834

IUPAC2-chloro-N-(1-pyridin-3-ylethyl)-6-(trifluoromethyl)aniline
SMILESCC(Nc1c(Cl)cccc1C(F)(F)F)c1cccnc1
InChIInChI=1S/C14H12ClF3N2/c1-9(10-4-3-7-19-8-10)20-13-11(14(16,17)18)5-2-6-12(13)15/h2-9,20H,1H3
InChIKeyPTMYTGHLFMKSHN-UHFFFAOYSA-N
MW300.71 g/mol
LogP4.93
Rot. Bonds3

About 2-chloro-N-(1-pyridin-3-ylethyl)-6-(trifluoromethyl)aniline

2-chloro-N-(1-pyridin-3-ylethyl)-6-(trifluoromethyl)aniline (PubChem CID 43121834) has the molecular formula C14H12ClF3N2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 2-chloro-N-(1-pyridin-3-ylethyl)-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(1-pyridin-3-ylethyl)-6-(trifluoromethyl)aniline
PubChem CID43121834
Molecular FormulaC14H12ClF3N2
Molecular Weight300.71 g/mol
Exact Mass300.06
IUPAC Name2-chloro-N-(1-pyridin-3-ylethyl)-6-(trifluoromethyl)aniline
SMILESCC(Nc1c(Cl)cccc1C(F)(F)F)c1cccnc1
InChIInChI=1S/C14H12ClF3N2/c1-9(10-4-3-7-19-8-10)20-13-11(14(16,17)18)5-2-6-12(13)15/h2-9,20H,1H3
InChIKeyPTMYTGHLFMKSHN-UHFFFAOYSA-N
XLogP4.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine
CID 24694524
2,6-dichloro-N-(1-phenylethyl)aniline
CID 65467797
N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
CID 43176996
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 79691249
2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline
CID 43121812
5-chloro-N-(1-pyridin-3-ylethyl)quinolin-8-amine
CID 60927982
2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 66251849
2-chloro-N-[(3-propan-2-ylimidazol-4-yl)methyl]-6-(trifluoromethyl)aniline
CID 66131876
6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 61228601
(1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 28655829
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
5-amino-3-chloro-2-(1-pyridin-3-ylethylamino)benzoic acid
CID 107193997

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-pyridin-3-ylethyl)-6-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-(1-pyridin-3-ylethyl)-6-(trifluoromethyl)aniline (CID 43121834) is 2-chloro-N-(1-pyridin-3-ylethyl)-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-(1-pyridin-3-ylethyl)-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-(1-pyridin-3-ylethyl)-6-(trifluoromethyl)aniline is CC(Nc1c(Cl)cccc1C(F)(F)F)c1cccnc1.
What is the InChIKey of 2-chloro-N-(1-pyridin-3-ylethyl)-6-(trifluoromethyl)aniline?
The InChIKey is PTMYTGHLFMKSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2/c1-9(10-4-3-7-19-8-10)20-13-11(14(16,17)18)5-2-6-12(13)15/h2-9,20H,1H3.
What are the key properties of 2-chloro-N-(1-pyridin-3-ylethyl)-6-(trifluoromethyl)aniline?
2-chloro-N-(1-pyridin-3-ylethyl)-6-(trifluoromethyl)aniline has a molecular weight of 300.71 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-pyridin-3-ylethyl)-6-(trifluoromethyl)aniline is sourced from PubChem (CID 43121834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).