2-(2,6-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine

C16H23Cl2NS2 — CID 103346163

IUPAC2-(2,6-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)C1CSC(C)C(C)S1
InChIInChI=1S/C16H23Cl2NS2/c1-4-19-15(16-9-20-10(2)11(3)21-16)8-12-13(17)6-5-7-14(12)18/h5-7,10-11,15-16,19H,4,8-9H2,1-3H3
InChIKeyJCJJAMJXIBOLBV-UHFFFAOYSA-N
MW364.41 g/mol
LogP5.14
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine

2-(2,6-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine (PubChem CID 103346163) has the molecular formula C16H23Cl2NS2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine
PubChem CID103346163
Molecular FormulaC16H23Cl2NS2
Molecular Weight364.41 g/mol
Exact Mass363.06
IUPAC Name2-(2,6-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)C1CSC(C)C(C)S1
InChIInChI=1S/C16H23Cl2NS2/c1-4-19-15(16-9-20-10(2)11(3)21-16)8-12-13(17)6-5-7-14(12)18/h5-7,10-11,15-16,19H,4,8-9H2,1-3H3
InChIKeyJCJJAMJXIBOLBV-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.41
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine with MolForge

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine
CID 103346179
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylbutan-1-amine
CID 103346032
[2-(2,3-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 107312815
N-[2-(3-chloro-4-pyridinyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 103346402
1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 65398874
N-[2-(2,6-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627212
1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxy-N-ethylethanamine
CID 103346227
2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105122810
N-[(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethyl]ethanamine
CID 103346089
1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 64906804
N-[2,3-dihydro-1-benzofuran-7-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 103346208
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188128

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine (CID 103346163) is 2-(2,6-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine is CCNC(Cc1c(Cl)cccc1Cl)C1CSC(C)C(C)S1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine?
The InChIKey is JCJJAMJXIBOLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NS2/c1-4-19-15(16-9-20-10(2)11(3)21-16)8-12-13(17)6-5-7-14(12)18/h5-7,10-11,15-16,19H,4,8-9H2,1-3H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine?
2-(2,6-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine has a molecular weight of 364.41 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine is sourced from PubChem (CID 103346163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).