2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl-(2-hydroxyethyl)azanium

C14H24NO3+ — CID 2280971

IUPAC2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl-(2-hydroxyethyl)azanium
SMILESCc1cccc(OCCOCC[NH2+]CCO)c1C
InChIInChI=1S/C14H23NO3/c1-12-4-3-5-14(13(12)2)18-11-10-17-9-7-15-6-8-16/h3-5,15-16H,6-11H2,1-2H3/p+1
InChIKeyCADRWUYVXMNBQE-UHFFFAOYSA-O
MW254.35 g/mol
LogP0.25
Rot. Bonds9

About 2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl-(2-hydroxyethyl)azanium

2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl-(2-hydroxyethyl)azanium (PubChem CID 2280971) has the molecular formula C14H24NO3+ and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl-(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl-(2-hydroxyethyl)azanium
PubChem CID2280971
Molecular FormulaC14H24NO3+
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl-(2-hydroxyethyl)azanium
SMILESCc1cccc(OCCOCC[NH2+]CCO)c1C
InChIInChI=1S/C14H23NO3/c1-12-4-3-5-14(13(12)2)18-11-10-17-9-7-15-6-8-16/h3-5,15-16H,6-11H2,1-2H3/p+1
InChIKeyCADRWUYVXMNBQE-UHFFFAOYSA-O
XLogP0.25
TPSA55.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 113226849
2-[2-(2,3-dimethylphenoxy)ethoxy]-N-ethylethanamine
CID 82353922
2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium
CID 2262875
2-[3-(2,3-dimethylphenoxy)propylamino]ethanol
CID 2249838
2-[2-(3-bromophenoxy)ethoxy]ethyl-(2-hydroxyethyl)azanium
CID 2299743
3-(2,3-dimethylphenoxy)propanethioamide
CID 7745565
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422
2-(2,5-dimethylphenoxy)ethyl-(2-hydroxyethyl)azanium
CID 2262147
1-(3-bromopropoxy)-2,3-dimethylbenzene
CID 6483771
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol
CID 104564323
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2934238

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl-(2-hydroxyethyl)azanium?
The IUPAC name of 2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl-(2-hydroxyethyl)azanium (CID 2280971) is 2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl-(2-hydroxyethyl)azanium.
What is the SMILES notation for 2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl-(2-hydroxyethyl)azanium?
The canonical SMILES for 2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl-(2-hydroxyethyl)azanium is Cc1cccc(OCCOCC[NH2+]CCO)c1C.
What is the InChIKey of 2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl-(2-hydroxyethyl)azanium?
The InChIKey is CADRWUYVXMNBQE-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23NO3/c1-12-4-3-5-14(13(12)2)18-11-10-17-9-7-15-6-8-16/h3-5,15-16H,6-11H2,1-2H3/p+1.
What are the key properties of 2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl-(2-hydroxyethyl)azanium?
2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl-(2-hydroxyethyl)azanium has a molecular weight of 254.35 g/mol, XLogP of 0.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl-(2-hydroxyethyl)azanium is sourced from PubChem (CID 2280971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).