6-[(2-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridin-2-amine

C14H13F3N2S — CID 102720333

IUPAC6-[(2-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccccc1CSc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C14H13F3N2S/c1-9-4-2-3-5-10(9)8-20-13-7-11(14(15,16)17)6-12(18)19-13/h2-7H,8H2,1H3,(H2,18,19)
InChIKeyMJUCEIGQCPRRJS-UHFFFAOYSA-N
MW298.33 g/mol
LogP4.28
Rot. Bonds3

About 6-[(2-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridin-2-amine

6-[(2-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720333) has the molecular formula C14H13F3N2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 6-[(2-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[(2-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720333
Molecular FormulaC14H13F3N2S
Molecular Weight298.33 g/mol
Exact Mass298.08
IUPAC Name6-[(2-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccccc1CSc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C14H13F3N2S/c1-9-4-2-3-5-10(9)8-20-13-7-11(14(15,16)17)6-12(18)19-13/h2-7H,8H2,1H3,(H2,18,19)
InChIKeyMJUCEIGQCPRRJS-UHFFFAOYSA-N
XLogP4.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol
CID 102720381
6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716550
5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridin-4-amine
CID 83267578
6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720134
3-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline
CID 43303257
6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720288
2-methoxy-6-[(2-methylphenyl)methylsulfanyl]pyridin-3-amine
CID 55112968
N'-hydroxy-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide
CID 137013924
4-chloro-6-[(2-methylphenyl)methylsulfanyl]-2-propan-2-ylpyrimidine
CID 80951036
6-benzyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine
CID 46861690
5-chloro-2-[(2-methylphenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 17012734
6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717119

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-[(2-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridin-2-amine (CID 102720333) is 6-[(2-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-[(2-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-[(2-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridin-2-amine is Cc1ccccc1CSc1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 6-[(2-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MJUCEIGQCPRRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2S/c1-9-4-2-3-5-10(9)8-20-13-7-11(14(15,16)17)6-12(18)19-13/h2-7H,8H2,1H3,(H2,18,19).
What are the key properties of 6-[(2-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridin-2-amine?
6-[(2-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 298.33 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).