triethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium

C18H32NO3+ — CID 57258749

IUPACtriethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium
SMILESCC[N+](CC)(CC)CCOCCOCCOc1ccccc1
InChIInChI=1S/C18H32NO3/c1-4-19(5-2,6-3)12-13-20-14-15-21-16-17-22-18-10-8-7-9-11-18/h7-11H,4-6,12-17H2,1-3H3/q+1
InChIKeyQQCYUQMADHJAEQ-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.98
Rot. Bonds13

About triethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium

triethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium (PubChem CID 57258749) has the molecular formula C18H32NO3+ and a molecular weight of 310.46 g/mol. Its IUPAC name is triethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium.

Molecular Properties

Compound Nametriethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium
PubChem CID57258749
Molecular FormulaC18H32NO3+
Molecular Weight310.46 g/mol
Exact Mass310.24
IUPAC Nametriethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium
SMILESCC[N+](CC)(CC)CCOCCOCCOc1ccccc1
InChIInChI=1S/C18H32NO3/c1-4-19(5-2,6-3)12-13-20-14-15-21-16-17-22-18-10-8-7-9-11-18/h7-11H,4-6,12-17H2,1-3H3/q+1
InChIKeyQQCYUQMADHJAEQ-UHFFFAOYSA-N
XLogP2.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

triethyl(12-phenoxydodecyl)azanium bromide
CID 42631033
triethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium
CID 6604856
2-pentoxyethoxybenzene
CID 54431229
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
2-dodecoxyethoxybenzene
CID 67831231
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
dimethyl-[2-(2-phenoxyethoxy)ethyl]-prop-2-enylazanium chloride
CID 67900173
2-(2-phenoxyethoxy)ethanol
CID 7715
2-(4-tert-butylphenoxy)ethyl-triethylazanium
CID 3026407
2-methyl-1-(2-phenoxyethoxy)butan-2-amine
CID 64573594
2-(3-chloropropoxy)ethoxybenzene
CID 24689326
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium?
The IUPAC name of triethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium (CID 57258749) is triethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium.
What is the SMILES notation for triethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium?
The canonical SMILES for triethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium is CC[N+](CC)(CC)CCOCCOCCOc1ccccc1.
What is the InChIKey of triethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium?
The InChIKey is QQCYUQMADHJAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32NO3/c1-4-19(5-2,6-3)12-13-20-14-15-21-16-17-22-18-10-8-7-9-11-18/h7-11H,4-6,12-17H2,1-3H3/q+1.
What are the key properties of triethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium?
triethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium has a molecular weight of 310.46 g/mol, XLogP of 2.98, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium is sourced from PubChem (CID 57258749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).