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

C13H17Cl2NOS — CID 79962732

IUPAC2-(2,4-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
SMILESCNC(Cc1ccc(Cl)cc1Cl)C1CSCCO1
InChIInChI=1S/C13H17Cl2NOS/c1-16-12(13-8-18-5-4-17-13)6-9-2-3-10(14)7-11(9)15/h2-3,7,12-13,16H,4-6,8H2,1H3
InChIKeyQRNHJKWKGPIKOG-UHFFFAOYSA-N
MW306.26 g/mol
LogP3.26
Rot. Bonds4

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

2-(2,4-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine (PubChem CID 79962732) has the molecular formula C13H17Cl2NOS and a molecular weight of 306.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
PubChem CID79962732
Molecular FormulaC13H17Cl2NOS
Molecular Weight306.26 g/mol
Exact Mass305.04
IUPAC Name2-(2,4-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
SMILESCNC(Cc1ccc(Cl)cc1Cl)C1CSCCO1
InChIInChI=1S/C13H17Cl2NOS/c1-16-12(13-8-18-5-4-17-13)6-9-2-3-10(14)7-11(9)15/h2-3,7,12-13,16H,4-6,8H2,1H3
InChIKeyQRNHJKWKGPIKOG-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-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963427
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 103040293
2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963248
2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963628
2-(4-bromo-2-chlorophenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 113471227
[2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 102623389
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
N-[2-(2,4-dichlorophenyl)-1-(1,4-dithian-2-yl)ethyl]propan-1-amine
CID 79965753
N-methyl-1-(1,4-oxathian-2-yl)hexan-1-amine
CID 79962336
1-(2,4-dichlorophenyl)-N-methyl-3-(oxan-4-yl)propan-2-amine
CID 62601524
N-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79963843

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine (CID 79962732) is 2-(2,4-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine is CNC(Cc1ccc(Cl)cc1Cl)C1CSCCO1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine?
The InChIKey is QRNHJKWKGPIKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NOS/c1-16-12(13-8-18-5-4-17-13)6-9-2-3-10(14)7-11(9)15/h2-3,7,12-13,16H,4-6,8H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine?
2-(2,4-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-(2,4-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine is sourced from PubChem (CID 79962732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).