[2-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine

C15H15F3N2S — CID 79875695

IUPAC[2-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCc1ccc(Sc2nc(C(F)(F)F)ccc2CN)cc1C
InChIInChI=1S/C15H15F3N2S/c1-9-3-5-12(7-10(9)2)21-14-11(8-19)4-6-13(20-14)15(16,17)18/h3-7H,8,19H2,1-2H3
InChIKeyGGMNGWSBJDHMPS-UHFFFAOYSA-N
MW312.36 g/mol
LogP4.33
Rot. Bonds3

About [2-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 79875695) has the molecular formula C15H15F3N2S and a molecular weight of 312.36 g/mol. Its IUPAC name is [2-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID79875695
Molecular FormulaC15H15F3N2S
Molecular Weight312.36 g/mol
Exact Mass312.09
IUPAC Name[2-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCc1ccc(Sc2nc(C(F)(F)F)ccc2CN)cc1C
InChIInChI=1S/C15H15F3N2S/c1-9-3-5-12(7-10(9)2)21-14-11(8-19)4-6-13(20-14)15(16,17)18/h3-7H,8,19H2,1-2H3
InChIKeyGGMNGWSBJDHMPS-UHFFFAOYSA-N
XLogP4.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 79875695) is [2-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine is Cc1ccc(Sc2nc(C(F)(F)F)ccc2CN)cc1C.
What is the InChIKey of [2-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is GGMNGWSBJDHMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2S/c1-9-3-5-12(7-10(9)2)21-14-11(8-19)4-6-13(20-14)15(16,17)18/h3-7H,8,19H2,1-2H3.
What are the key properties of [2-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 312.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 79875695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).