2-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine

C13H17Cl2NOS — CID 79963427

IUPAC2-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
SMILESCNC(Cc1cc(Cl)ccc1Cl)C1CSCCO1
InChIInChI=1S/C13H17Cl2NOS/c1-16-12(13-8-18-5-4-17-13)7-9-6-10(14)2-3-11(9)15/h2-3,6,12-13,16H,4-5,7-8H2,1H3
InChIKeyCFQFREGPQIAGSC-UHFFFAOYSA-N
MW306.26 g/mol
LogP3.26
Rot. Bonds4

About 2-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine

2-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine (PubChem CID 79963427) has the molecular formula C13H17Cl2NOS and a molecular weight of 306.26 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
PubChem CID79963427
Molecular FormulaC13H17Cl2NOS
Molecular Weight306.26 g/mol
Exact Mass305.04
IUPAC Name2-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
SMILESCNC(Cc1cc(Cl)ccc1Cl)C1CSCCO1
InChIInChI=1S/C13H17Cl2NOS/c1-16-12(13-8-18-5-4-17-13)7-9-6-10(14)2-3-11(9)15/h2-3,6,12-13,16H,4-5,7-8H2,1H3
InChIKeyCFQFREGPQIAGSC-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79962732
2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963248
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 103040293
[2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 102623389
2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963628
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 107884975
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103053273
1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 65321437
1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 115862958
2-(2,5-dichlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 115862951
2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65414577
2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352823

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine (CID 79963427) is 2-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine is CNC(Cc1cc(Cl)ccc1Cl)C1CSCCO1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine?
The InChIKey is CFQFREGPQIAGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NOS/c1-16-12(13-8-18-5-4-17-13)7-9-6-10(14)2-3-11(9)15/h2-3,6,12-13,16H,4-5,7-8H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine?
2-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine has a molecular weight of 306.26 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine is sourced from PubChem (CID 79963427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).