tris[2-(2,4-dichlorophenoxy)ethyl]azanium

C24H22Cl6NO3+ — CID 2317161

IUPACtris[2-(2,4-dichlorophenoxy)ethyl]azanium
SMILESClc1ccc(OCC[NH+](CCOc2ccc(Cl)cc2Cl)CCOc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C24H21Cl6NO3/c25-16-1-4-22(19(28)13-16)32-10-7-31(8-11-33-23-5-2-17(26)14-20(23)29)9-12-34-24-6-3-18(27)15-21(24)30/h1-6,13-15H,7-12H2/p+1
InChIKeyDQTLUQKGKCCDRY-UHFFFAOYSA-O
MW585.16 g/mol
LogP7.03
Rot. Bonds12

About tris[2-(2,4-dichlorophenoxy)ethyl]azanium

tris[2-(2,4-dichlorophenoxy)ethyl]azanium (PubChem CID 2317161) has the molecular formula C24H22Cl6NO3+ and a molecular weight of 585.16 g/mol. Its IUPAC name is tris[2-(2,4-dichlorophenoxy)ethyl]azanium.

Molecular Properties

Compound Nametris[2-(2,4-dichlorophenoxy)ethyl]azanium
PubChem CID2317161
Molecular FormulaC24H22Cl6NO3+
Molecular Weight585.16 g/mol
Exact Mass581.97
IUPAC Nametris[2-(2,4-dichlorophenoxy)ethyl]azanium
SMILESClc1ccc(OCC[NH+](CCOc2ccc(Cl)cc2Cl)CCOc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C24H21Cl6NO3/c25-16-1-4-22(19(28)13-16)32-10-7-31(8-11-33-23-5-2-17(26)14-20(23)29)9-12-34-24-6-3-18(27)15-21(24)30/h1-6,13-15H,7-12H2/p+1
InChIKeyDQTLUQKGKCCDRY-UHFFFAOYSA-O
XLogP7.03
TPSA32.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.16
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis[2-(2,4-dichlorophenoxy)ethyl]-trihydroxy-λ5-phosphane
CID 67683107
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
CID 39418958
5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile
CID 22682686
2,4-dichloro-1-oct-7-ynoxybenzene
CID 126538407
1-[2-(2,4-dichlorophenoxy)ethyl]pyrrolidin-1-ium
CID 7446277
2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
CID 2252113
N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine
CID 62688620
[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 20992565
3-[2-(2,4-dichlorophenoxy)ethoxy]-2,6-dimethylpyridine
CID 57393480
4-(2,4-dichlorophenoxy)-N,2-dimethylbutan-2-amine
CID 94693280

Frequently Asked Questions

What is the IUPAC name of tris[2-(2,4-dichlorophenoxy)ethyl]azanium?
The IUPAC name of tris[2-(2,4-dichlorophenoxy)ethyl]azanium (CID 2317161) is tris[2-(2,4-dichlorophenoxy)ethyl]azanium.
What is the SMILES notation for tris[2-(2,4-dichlorophenoxy)ethyl]azanium?
The canonical SMILES for tris[2-(2,4-dichlorophenoxy)ethyl]azanium is Clc1ccc(OCC[NH+](CCOc2ccc(Cl)cc2Cl)CCOc2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of tris[2-(2,4-dichlorophenoxy)ethyl]azanium?
The InChIKey is DQTLUQKGKCCDRY-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H21Cl6NO3/c25-16-1-4-22(19(28)13-16)32-10-7-31(8-11-33-23-5-2-17(26)14-20(23)29)9-12-34-24-6-3-18(27)15-21(24)30/h1-6,13-15H,7-12H2/p+1.
What are the key properties of tris[2-(2,4-dichlorophenoxy)ethyl]azanium?
tris[2-(2,4-dichlorophenoxy)ethyl]azanium has a molecular weight of 585.16 g/mol, XLogP of 7.03, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2-(2,4-dichlorophenoxy)ethyl]azanium is sourced from PubChem (CID 2317161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).