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

C14H19Cl2NOS — CID 79963248

IUPAC2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)C1CSCCO1
InChIInChI=1S/C14H19Cl2NOS/c1-2-17-13(14-9-19-6-5-18-14)8-10-7-11(15)3-4-12(10)16/h3-4,7,13-14,17H,2,5-6,8-9H2,1H3
InChIKeyCAGRPSASYFAOAI-UHFFFAOYSA-N
MW320.29 g/mol
LogP3.65
Rot. Bonds5

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

2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine (PubChem CID 79963248) has the molecular formula C14H19Cl2NOS and a molecular weight of 320.29 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
PubChem CID79963248
Molecular FormulaC14H19Cl2NOS
Molecular Weight320.29 g/mol
Exact Mass319.06
IUPAC Name2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)C1CSCCO1
InChIInChI=1S/C14H19Cl2NOS/c1-2-17-13(14-9-19-6-5-18-14)8-10-7-11(15)3-4-12(10)16/h3-4,7,13-14,17H,2,5-6,8-9H2,1H3
InChIKeyCAGRPSASYFAOAI-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 53.65
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-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 107884975
2-(2,4-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79962732
[2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 102623389
2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80622619
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 103040293
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79962540
N-[2-(2,5-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79095159
N-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine
CID 107360001
N,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine
CID 82922082
N-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine
CID 107050253
2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79962351

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine (CID 79963248) is 2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine is CCNC(Cc1cc(Cl)ccc1Cl)C1CSCCO1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine?
The InChIKey is CAGRPSASYFAOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NOS/c1-2-17-13(14-9-19-6-5-18-14)8-10-7-11(15)3-4-12(10)16/h3-4,7,13-14,17H,2,5-6,8-9H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine?
2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine has a molecular weight of 320.29 g/mol, XLogP of 3.65, 5 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-ethyl-1-(1,4-oxathian-2-yl)ethanamine is sourced from PubChem (CID 79963248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).