1-(2,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine

C18H24N2S — CID 102926366

IUPAC1-(2,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine
SMILESCNC(CSc1cc(C)cc(C)n1)c1ccc(C)cc1C
InChIInChI=1S/C18H24N2S/c1-12-6-7-16(14(3)8-12)17(19-5)11-21-18-10-13(2)9-15(4)20-18/h6-10,17,19H,11H2,1-5H3
InChIKeyPXBMFFGPPHQFHI-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.37
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine

1-(2,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine (PubChem CID 102926366) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine
PubChem CID102926366
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name1-(2,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine
SMILESCNC(CSc1cc(C)cc(C)n1)c1ccc(C)cc1C
InChIInChI=1S/C18H24N2S/c1-12-6-7-16(14(3)8-12)17(19-5)11-21-18-10-13(2)9-15(4)20-18/h6-10,17,19H,11H2,1-5H3
InChIKeyPXBMFFGPPHQFHI-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)ethanamine
CID 102926336
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 106928061
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine
CID 102926592
1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine
CID 102926365
1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine
CID 102926419
1-(2,4-dimethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64628158
1-(3,5-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102926515
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 64650510
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine
CID 102926370
1-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63508884
N-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine
CID 64647741
ethyl 2-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]sulfanylacetate
CID 64614375

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine (CID 102926366) is 1-(2,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine is CNC(CSc1cc(C)cc(C)n1)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine?
The InChIKey is PXBMFFGPPHQFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-12-6-7-16(14(3)8-12)17(19-5)11-21-18-10-13(2)9-15(4)20-18/h6-10,17,19H,11H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine?
1-(2,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine has a molecular weight of 300.47 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine is sourced from PubChem (CID 102926366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).