1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine

C16H25NS2 — CID 79966252

IUPAC1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(Cc1c(C)cc(C)cc1C)C1CSCCS1
InChIInChI=1S/C16H25NS2/c1-11-7-12(2)14(13(3)8-11)9-15(17-4)16-10-18-5-6-19-16/h7-8,15-17H,5-6,9-10H2,1-4H3
InChIKeyUXCNCQHVXKGOGU-UHFFFAOYSA-N
MW295.52 g/mol
LogP3.59
Rot. Bonds4

About 1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine

1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 79966252) has the molecular formula C16H25NS2 and a molecular weight of 295.52 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID79966252
Molecular FormulaC16H25NS2
Molecular Weight295.52 g/mol
Exact Mass295.14
IUPAC Name1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(Cc1c(C)cc(C)cc1C)C1CSCCS1
InChIInChI=1S/C16H25NS2/c1-11-7-12(2)14(13(3)8-11)9-15(17-4)16-10-18-5-6-19-16/h7-8,15-17H,5-6,9-10H2,1-4H3
InChIKeyUXCNCQHVXKGOGU-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 79966538
1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105374162
2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine
CID 79966643
1-(1,4-dithian-2-yl)-N-methylpropan-1-amine
CID 79966250
1-(1,4-dithian-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 79965484
N-ethyl-1-(thian-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 80626497
4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine
CID 79966342
1-(1,4-dithian-2-yl)-N-methylnonan-1-amine
CID 79965382
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828599
[1-(1,4-dithian-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105249365
1-(1,4-dithian-2-yl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794154
[1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105249241

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine (CID 79966252) is 1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine is CNC(Cc1c(C)cc(C)cc1C)C1CSCCS1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is UXCNCQHVXKGOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS2/c1-11-7-12(2)14(13(3)8-11)9-15(17-4)16-10-18-5-6-19-16/h7-8,15-17H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 295.52 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 79966252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).