2-(4-tert-butylphenoxy)ethyl-triethylazanium

C18H32NO+ — CID 3026407

IUPAC2-(4-tert-butylphenoxy)ethyl-triethylazanium
SMILESCC[N+](CC)(CC)CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H32NO/c1-7-19(8-2,9-3)14-15-20-17-12-10-16(11-13-17)18(4,5)6/h10-13H,7-9,14-15H2,1-6H3/q+1
InChIKeyDEIIRDHLVLQGRX-UHFFFAOYSA-N
MW278.46 g/mol
LogP4.24
Rot. Bonds7

About 2-(4-tert-butylphenoxy)ethyl-triethylazanium

2-(4-tert-butylphenoxy)ethyl-triethylazanium (PubChem CID 3026407) has the molecular formula C18H32NO+ and a molecular weight of 278.46 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)ethyl-triethylazanium.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)ethyl-triethylazanium
PubChem CID3026407
Molecular FormulaC18H32NO+
Molecular Weight278.46 g/mol
Exact Mass278.25
IUPAC Name2-(4-tert-butylphenoxy)ethyl-triethylazanium
SMILESCC[N+](CC)(CC)CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H32NO/c1-7-19(8-2,9-3)14-15-20-17-12-10-16(11-13-17)18(4,5)6/h10-13H,7-9,14-15H2,1-6H3/q+1
InChIKeyDEIIRDHLVLQGRX-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triethyl-[2-[4-[1,2,2-tris[4-[2-(triethylazaniumyl)ethoxy]phenyl]ethenyl]phenoxy]ethyl]azanium
CID 44611206
triethyl-[2-(4-ethylphenoxy)ethyl]azanium bromide
CID 3026634
triethyl-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenoxy]ethyl]azanium
CID 176732614
triethyl-[2-[4-[2-(4-hydroxyphenyl)ethenyl]phenoxy]ethyl]azanium
CID 176732616
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
triethyl(2-naphthalen-2-yloxyethyl)azanium bromide
CID 12889861
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
1-tert-butyl-4-(3-deuteriopropoxy)benzene
CID 177106772
triethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium
CID 57258749
4-(4-tert-butylphenoxy)-N-methylbutan-1-amine
CID 62454221
tert-butyl-[2-(4-tert-butylphenoxy)ethyl]azanium
CID 2262208
1-(5-bromopentoxy)-4-tert-butylbenzene
CID 5186697

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)ethyl-triethylazanium?
The IUPAC name of 2-(4-tert-butylphenoxy)ethyl-triethylazanium (CID 3026407) is 2-(4-tert-butylphenoxy)ethyl-triethylazanium.
What is the SMILES notation for 2-(4-tert-butylphenoxy)ethyl-triethylazanium?
The canonical SMILES for 2-(4-tert-butylphenoxy)ethyl-triethylazanium is CC[N+](CC)(CC)CCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)ethyl-triethylazanium?
The InChIKey is DEIIRDHLVLQGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32NO/c1-7-19(8-2,9-3)14-15-20-17-12-10-16(11-13-17)18(4,5)6/h10-13H,7-9,14-15H2,1-6H3/q+1.
What are the key properties of 2-(4-tert-butylphenoxy)ethyl-triethylazanium?
2-(4-tert-butylphenoxy)ethyl-triethylazanium has a molecular weight of 278.46 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)ethyl-triethylazanium is sourced from PubChem (CID 3026407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).