6-chloro-N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

C12H16ClF3N2S — CID 102716219

IUPAC6-chloro-N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCSCCC(C)Nc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C12H16ClF3N2S/c1-3-19-5-4-8(2)17-11-7-9(12(14,15)16)6-10(13)18-11/h6-8H,3-5H2,1-2H3,(H,17,18)
InChIKeyXQZZDKDKHFLVHT-UHFFFAOYSA-N
MW312.79 g/mol
LogP4.70
Rot. Bonds6

About 6-chloro-N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102716219) has the molecular formula C12H16ClF3N2S and a molecular weight of 312.79 g/mol. Its IUPAC name is 6-chloro-N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102716219
Molecular FormulaC12H16ClF3N2S
Molecular Weight312.79 g/mol
Exact Mass312.07
IUPAC Name6-chloro-N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCSCCC(C)Nc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C12H16ClF3N2S/c1-3-19-5-4-8(2)17-11-7-9(12(14,15)16)6-10(13)18-11/h6-8H,3-5H2,1-2H3,(H,17,18)
InChIKeyXQZZDKDKHFLVHT-UHFFFAOYSA-N
XLogP4.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.79
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-pentan-2-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102715439
2-chloro-N-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562933
6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715447
N-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 113268493
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-ethylpropanamide
CID 102715642
methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 97136425
6-chloro-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715359
5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine
CID 115744742
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 102716204
N-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 102715658
6-hydrazinyl-N-(5-methylhexan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102720760
6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715652

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 102716219) is 6-chloro-N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine is CCSCCC(C)Nc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 6-chloro-N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XQZZDKDKHFLVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N2S/c1-3-19-5-4-8(2)17-11-7-9(12(14,15)16)6-10(13)18-11/h6-8H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 6-chloro-N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 312.79 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102716219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).