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

C14H21NS2 — CID 79966538

IUPAC1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine
SMILESCNC(Cc1ccccc1C)C1CSCCS1
InChIInChI=1S/C14H21NS2/c1-11-5-3-4-6-12(11)9-13(15-2)14-10-16-7-8-17-14/h3-6,13-15H,7-10H2,1-2H3
InChIKeyLDEGFRAARFJOGC-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.97
Rot. Bonds4

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

1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine (PubChem CID 79966538) has the molecular formula C14H21NS2 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine
PubChem CID79966538
Molecular FormulaC14H21NS2
Molecular Weight267.46 g/mol
Exact Mass267.11
IUPAC Name1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine
SMILESCNC(Cc1ccccc1C)C1CSCCS1
InChIInChI=1S/C14H21NS2/c1-11-5-3-4-6-12(11)9-13(15-2)14-10-16-7-8-17-14/h3-6,13-15H,7-10H2,1-2H3
InChIKeyLDEGFRAARFJOGC-UHFFFAOYSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105374162
1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 79966252
2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine
CID 79966643
1-(1,4-dithian-2-yl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794154
1-(1,4-dithian-2-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine
CID 79965394
2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79965548
1-(1,4-dithian-2-yl)-N-methylpropan-1-amine
CID 79966250
N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine
CID 80627155
1-(1,4-dithian-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 79965549
4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine
CID 79966342
1-(1,4-dithian-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 79965484
N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105091772

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine (CID 79966538) is 1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine is CNC(Cc1ccccc1C)C1CSCCS1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine?
The InChIKey is LDEGFRAARFJOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS2/c1-11-5-3-4-6-12(11)9-13(15-2)14-10-16-7-8-17-14/h3-6,13-15H,7-10H2,1-2H3.
What are the key properties of 1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine?
1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine has a molecular weight of 267.46 g/mol, XLogP of 2.97, 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-methylphenyl)ethanamine is sourced from PubChem (CID 79966538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).