2-[2-(2,5-dichlorophenyl)sulfanylethyl-(2-methoxyethyl)amino]ethanol

C13H19Cl2NO2S — CID 115613609

IUPAC2-[2-(2,5-dichlorophenyl)sulfanylethyl-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)CCSc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO2S/c1-18-8-5-16(4-7-17)6-9-19-13-10-11(14)2-3-12(13)15/h2-3,10,17H,4-9H2,1H3
InChIKeyZEARUXYGGJDPAW-UHFFFAOYSA-N
MW324.27 g/mol
LogP3.03
Rot. Bonds9

About 2-[2-(2,5-dichlorophenyl)sulfanylethyl-(2-methoxyethyl)amino]ethanol

2-[2-(2,5-dichlorophenyl)sulfanylethyl-(2-methoxyethyl)amino]ethanol (PubChem CID 115613609) has the molecular formula C13H19Cl2NO2S and a molecular weight of 324.27 g/mol. Its IUPAC name is 2-[2-(2,5-dichlorophenyl)sulfanylethyl-(2-methoxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-(2,5-dichlorophenyl)sulfanylethyl-(2-methoxyethyl)amino]ethanol
PubChem CID115613609
Molecular FormulaC13H19Cl2NO2S
Molecular Weight324.27 g/mol
Exact Mass323.05
IUPAC Name2-[2-(2,5-dichlorophenyl)sulfanylethyl-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)CCSc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO2S/c1-18-8-5-16(4-7-17)6-9-19-13-10-11(14)2-3-12(13)15/h2-3,10,17H,4-9H2,1H3
InChIKeyZEARUXYGGJDPAW-UHFFFAOYSA-N
XLogP3.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(2,5-dichlorophenyl)sulfanylethyl]-N'-methylethane-1,2-diamine
CID 62685895
N-(3-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide
CID 115641285
2-[2-(2,5-dichlorophenyl)sulfanylethyl-prop-2-ynylamino]acetic acid
CID 79274387
3-[2-(2,5-dichlorophenyl)sulfanylethyl-propan-2-ylamino]propanoic acid
CID 60833765
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2-methoxyethyl)amino]ethanol
CID 111103173
4-[[2-(2,5-dichlorophenyl)sulfanylethyl-methylamino]methyl]-N-methylbenzamide
CID 9124097
2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-(2-methoxyethyl)amino]ethanol
CID 111436362
2-[2-(2-bromo-4-chlorophenoxy)ethyl-propylamino]ethanol
CID 60694635
2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol
CID 111436382
4-chloro-2-(3-methoxypropylsulfanyl)aniline
CID 79527904
2-[5-chloro-2-(hydroxymethyl)phenyl]sulfanylethanol
CID 114865536
methyl 3-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]-2-methylpropanoate
CID 66115350

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dichlorophenyl)sulfanylethyl-(2-methoxyethyl)amino]ethanol?
The IUPAC name of 2-[2-(2,5-dichlorophenyl)sulfanylethyl-(2-methoxyethyl)amino]ethanol (CID 115613609) is 2-[2-(2,5-dichlorophenyl)sulfanylethyl-(2-methoxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2-(2,5-dichlorophenyl)sulfanylethyl-(2-methoxyethyl)amino]ethanol?
The canonical SMILES for 2-[2-(2,5-dichlorophenyl)sulfanylethyl-(2-methoxyethyl)amino]ethanol is COCCN(CCO)CCSc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[2-(2,5-dichlorophenyl)sulfanylethyl-(2-methoxyethyl)amino]ethanol?
The InChIKey is ZEARUXYGGJDPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2S/c1-18-8-5-16(4-7-17)6-9-19-13-10-11(14)2-3-12(13)15/h2-3,10,17H,4-9H2,1H3.
What are the key properties of 2-[2-(2,5-dichlorophenyl)sulfanylethyl-(2-methoxyethyl)amino]ethanol?
2-[2-(2,5-dichlorophenyl)sulfanylethyl-(2-methoxyethyl)amino]ethanol has a molecular weight of 324.27 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dichlorophenyl)sulfanylethyl-(2-methoxyethyl)amino]ethanol is sourced from PubChem (CID 115613609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).