2-(2,3-dichlorophenoxy)ethyl-diethylazanium chloride

C12H18Cl3NO — CID 134107311

IUPAC2-(2,3-dichlorophenoxy)ethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCOc1cccc(Cl)c1Cl.[Cl-]
InChIInChI=1S/C12H17Cl2NO.ClH/c1-3-15(4-2)8-9-16-11-7-5-6-10(13)12(11)14;/h5-7H,3-4,8-9H2,1-2H3;1H
InChIKeyPKRUPEBEGQXPQI-UHFFFAOYSA-N
MW298.64 g/mol
LogP-0.70
Rot. Bonds6

About 2-(2,3-dichlorophenoxy)ethyl-diethylazanium chloride

2-(2,3-dichlorophenoxy)ethyl-diethylazanium chloride (PubChem CID 134107311) has the molecular formula C12H18Cl3NO and a molecular weight of 298.64 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)ethyl-diethylazanium chloride.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)ethyl-diethylazanium chloride
PubChem CID134107311
Molecular FormulaC12H18Cl3NO
Molecular Weight298.64 g/mol
Exact Mass297.05
IUPAC Name2-(2,3-dichlorophenoxy)ethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCOc1cccc(Cl)c1Cl.[Cl-]
InChIInChI=1S/C12H17Cl2NO.ClH/c1-3-15(4-2)8-9-16-11-7-5-6-10(13)12(11)14;/h5-7H,3-4,8-9H2,1-2H3;1H
InChIKeyPKRUPEBEGQXPQI-UHFFFAOYSA-N
XLogP-0.70
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.64
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-chlorophenoxy)pentyl-diethylazanium
CID 2232789
3-(2,3-dichlorophenoxy)propane-1-thiol
CID 79019605
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CID 2248430
N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine
CID 2248800
5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine
CID 55077390
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium
CID 8779437
2-[3-(2,3-dichlorophenoxy)propoxy]aniline
CID 43174436
1-bromo-2-chloro-3-propoxybenzene
CID 126752460
2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride
CID 71297106
[2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 43531293
2-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678
2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452116

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)ethyl-diethylazanium chloride?
The IUPAC name of 2-(2,3-dichlorophenoxy)ethyl-diethylazanium chloride (CID 134107311) is 2-(2,3-dichlorophenoxy)ethyl-diethylazanium chloride.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)ethyl-diethylazanium chloride?
The canonical SMILES for 2-(2,3-dichlorophenoxy)ethyl-diethylazanium chloride is CC[NH+](CC)CCOc1cccc(Cl)c1Cl.[Cl-].
What is the InChIKey of 2-(2,3-dichlorophenoxy)ethyl-diethylazanium chloride?
The InChIKey is PKRUPEBEGQXPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO.ClH/c1-3-15(4-2)8-9-16-11-7-5-6-10(13)12(11)14;/h5-7H,3-4,8-9H2,1-2H3;1H.
What are the key properties of 2-(2,3-dichlorophenoxy)ethyl-diethylazanium chloride?
2-(2,3-dichlorophenoxy)ethyl-diethylazanium chloride has a molecular weight of 298.64 g/mol, XLogP of -0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)ethyl-diethylazanium chloride is sourced from PubChem (CID 134107311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).