N-methyl-6-(2-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine

C14H13F3N2S — CID 102720269

IUPACN-methyl-6-(2-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(Sc2ccccc2C)n1
InChIInChI=1S/C14H13F3N2S/c1-9-5-3-4-6-11(9)20-13-8-10(14(15,16)17)7-12(18-2)19-13/h3-8H,1-2H3,(H,18,19)
InChIKeyOFRDLGLTBQFZPX-UHFFFAOYSA-N
MW298.33 g/mol
LogP4.60
Rot. Bonds3

About N-methyl-6-(2-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine

N-methyl-6-(2-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720269) has the molecular formula C14H13F3N2S and a molecular weight of 298.33 g/mol. Its IUPAC name is N-methyl-6-(2-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(2-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720269
Molecular FormulaC14H13F3N2S
Molecular Weight298.33 g/mol
Exact Mass298.08
IUPAC NameN-methyl-6-(2-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(Sc2ccccc2C)n1
InChIInChI=1S/C14H13F3N2S/c1-9-5-3-4-6-11(9)20-13-8-10(14(15,16)17)7-12(18-2)19-13/h3-8H,1-2H3,(H,18,19)
InChIKeyOFRDLGLTBQFZPX-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721378
N-methyl-6-(2-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719830
N-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720209
2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717290
2-chloro-6-(2-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyridine
CID 102716297
[6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721407
6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720134
6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
CID 80884617
6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720288
N-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720227
N-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 107785223
6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine
CID 80893702

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-6-(2-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine (CID 102720269) is N-methyl-6-(2-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-6-(2-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-6-(2-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine is CNc1cc(C(F)(F)F)cc(Sc2ccccc2C)n1.
What is the InChIKey of N-methyl-6-(2-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OFRDLGLTBQFZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2S/c1-9-5-3-4-6-11(9)20-13-8-10(14(15,16)17)7-12(18-2)19-13/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-methyl-6-(2-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
N-methyl-6-(2-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 298.33 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).