2-(4-ethoxyphenoxy)ethyl-(3-methoxypropyl)azanium

C14H24NO3+ — CID 2300114

IUPAC2-(4-ethoxyphenoxy)ethyl-(3-methoxypropyl)azanium
SMILESCCOc1ccc(OCC[NH2+]CCCOC)cc1
InChIInChI=1S/C14H23NO3/c1-3-17-13-5-7-14(8-6-13)18-12-10-15-9-4-11-16-2/h5-8,15H,3-4,9-12H2,1-2H3/p+1
InChIKeyXNUBGQBSPIQFEZ-UHFFFAOYSA-O
MW254.35 g/mol
LogP1.06
Rot. Bonds10

About 2-(4-ethoxyphenoxy)ethyl-(3-methoxypropyl)azanium

2-(4-ethoxyphenoxy)ethyl-(3-methoxypropyl)azanium (PubChem CID 2300114) has the molecular formula C14H24NO3+ and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)ethyl-(3-methoxypropyl)azanium.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)ethyl-(3-methoxypropyl)azanium
PubChem CID2300114
Molecular FormulaC14H24NO3+
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-(4-ethoxyphenoxy)ethyl-(3-methoxypropyl)azanium
SMILESCCOc1ccc(OCC[NH2+]CCCOC)cc1
InChIInChI=1S/C14H23NO3/c1-3-17-13-5-7-14(8-6-13)18-12-10-15-9-4-11-16-2/h5-8,15H,3-4,9-12H2,1-2H3/p+1
InChIKeyXNUBGQBSPIQFEZ-UHFFFAOYSA-O
XLogP1.06
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-ethoxyphenoxy)ethyl-(3-methoxypropyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
CID 2280876
2-azaniumylethyl-[4-(4-ethoxyphenoxy)butyl]azanium
CID 2581897
3-methoxypropyl-[4-(4-phenylmethoxyphenoxy)butyl]azanium
CID 7381462
ethane;1-methoxy-4-(4-methoxybutoxy)benzene
CID 143283261
ethane;1-methoxy-4-(3-methoxypropoxy)benzene
CID 143283206
4-(4-methoxyphenoxy)but-2-ynyl-(3-methoxypropyl)azanium
CID 2195607
N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2923613
1-(4-ethoxyphenyl)-2,3-difluoro-4-[4-(6-methoxyhexoxy)phenyl]benzene
CID 90049279
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416
3-methoxypropyl-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azanium
CID 7470336
1-(bromomethyl)-4-(4-methoxybutoxy)benzene
CID 102137908
butyl-[2-(3-methoxyphenoxy)ethyl]azanium
CID 2262768

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)ethyl-(3-methoxypropyl)azanium?
The IUPAC name of 2-(4-ethoxyphenoxy)ethyl-(3-methoxypropyl)azanium (CID 2300114) is 2-(4-ethoxyphenoxy)ethyl-(3-methoxypropyl)azanium.
What is the SMILES notation for 2-(4-ethoxyphenoxy)ethyl-(3-methoxypropyl)azanium?
The canonical SMILES for 2-(4-ethoxyphenoxy)ethyl-(3-methoxypropyl)azanium is CCOc1ccc(OCC[NH2+]CCCOC)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)ethyl-(3-methoxypropyl)azanium?
The InChIKey is XNUBGQBSPIQFEZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23NO3/c1-3-17-13-5-7-14(8-6-13)18-12-10-15-9-4-11-16-2/h5-8,15H,3-4,9-12H2,1-2H3/p+1.
What are the key properties of 2-(4-ethoxyphenoxy)ethyl-(3-methoxypropyl)azanium?
2-(4-ethoxyphenoxy)ethyl-(3-methoxypropyl)azanium has a molecular weight of 254.35 g/mol, XLogP of 1.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)ethyl-(3-methoxypropyl)azanium is sourced from PubChem (CID 2300114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).