2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium

C11H18NO3+ — CID 2262875

IUPAC2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium
SMILESCOc1ccccc1OCC[NH2+]CCO
InChIInChI=1S/C11H17NO3/c1-14-10-4-2-3-5-11(10)15-9-7-12-6-8-13/h2-5,12-13H,6-9H2,1H3/p+1
InChIKeyVEFLFCGCPZGCPL-UHFFFAOYSA-O
MW212.27 g/mol
LogP-0.37
Rot. Bonds7

About 2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium

2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium (PubChem CID 2262875) has the molecular formula C11H18NO3+ and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium.

Molecular Properties

Compound Name2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium
PubChem CID2262875
Molecular FormulaC11H18NO3+
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium
SMILESCOc1ccccc1OCC[NH2+]CCO
InChIInChI=1S/C11H17NO3/c1-14-10-4-2-3-5-11(10)15-9-7-12-6-8-13/h2-5,12-13H,6-9H2,1H3/p+1
InChIKeyVEFLFCGCPZGCPL-UHFFFAOYSA-O
XLogP-0.37
TPSA55.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 5-0.37
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

4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
2-(2-methoxyphenoxy)ethyl-methylazanium
CID 7438015
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
4-(2-methoxyphenoxy)-2-methylbutan-1-ol
CID 66060440
2-(2,5-dimethylphenoxy)ethyl-(2-hydroxyethyl)azanium
CID 2262147
3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 63365326
2-hydroxyethyl-[5-(2-propan-2-ylphenoxy)pentyl]azanium
CID 2249072
2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl-(2-hydroxyethyl)azanium
CID 2280971
5-(2-tert-butylphenoxy)pentyl-(2-hydroxyethyl)azanium
CID 2251057
1-(2-methoxyphenoxy)pentan-3-ol
CID 112501425
2-[2-methoxyethyl-[2-(2-methoxyphenoxy)ethyl]amino]ethanol
CID 115613810

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium?
The IUPAC name of 2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium (CID 2262875) is 2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium.
What is the SMILES notation for 2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium?
The canonical SMILES for 2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium is COc1ccccc1OCC[NH2+]CCO.
What is the InChIKey of 2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium?
The InChIKey is VEFLFCGCPZGCPL-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H17NO3/c1-14-10-4-2-3-5-11(10)15-9-7-12-6-8-13/h2-5,12-13H,6-9H2,1H3/p+1.
What are the key properties of 2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium?
2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium has a molecular weight of 212.27 g/mol, XLogP of -0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium is sourced from PubChem (CID 2262875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).