triethyl-[(4-phenoxyphenyl)methyl]azanium

C19H26NO+ — CID 19809811

IUPACtriethyl-[(4-phenoxyphenyl)methyl]azanium
SMILESCC[N+](CC)(CC)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H26NO/c1-4-20(5-2,6-3)16-17-12-14-19(15-13-17)21-18-10-8-7-9-11-18/h7-15H,4-6,16H2,1-3H3/q+1
InChIKeyAECLDAAVYIFJFL-UHFFFAOYSA-N
MW284.42 g/mol
LogP4.86
Rot. Bonds7

About triethyl-[(4-phenoxyphenyl)methyl]azanium

triethyl-[(4-phenoxyphenyl)methyl]azanium (PubChem CID 19809811) has the molecular formula C19H26NO+ and a molecular weight of 284.42 g/mol. Its IUPAC name is triethyl-[(4-phenoxyphenyl)methyl]azanium.

Molecular Properties

Compound Nametriethyl-[(4-phenoxyphenyl)methyl]azanium
PubChem CID19809811
Molecular FormulaC19H26NO+
Molecular Weight284.42 g/mol
Exact Mass284.20
IUPAC Nametriethyl-[(4-phenoxyphenyl)methyl]azanium
SMILESCC[N+](CC)(CC)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H26NO/c1-4-20(5-2,6-3)16-17-12-14-19(15-13-17)21-18-10-8-7-9-11-18/h7-15H,4-6,16H2,1-3H3/q+1
InChIKeyAECLDAAVYIFJFL-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 54.86
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

azane;benzyl(triethyl)azanium;hydrofluoride
CID 174537374
azane;benzyl(triethyl)azanium;bromide;dihydrobromide
CID 172701063
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride
CID 141447337
ethane;phenoxybenzene;propane
CID 90923491
benzyl(triethyl)azanium;hydrogen carbonate
CID 29687
dibenzyl-ethyl-propylazanium
CID 130331727
potassium;benzyl(triethyl)azanium;carbonic acid;hydride;hydrobromide
CID 174844713
1-hex-3-ynyl-4-phenoxybenzene
CID 83938993
triethyl-[(4-methylphenyl)methyl]azanium hydroxide
CID 23165760
triethyl-[(4-fluorophenyl)methyl]azanium
CID 178182552
azanium;benzyl(triethyl)azanium;hydrogen sulfate
CID 172746378

Frequently Asked Questions

What is the IUPAC name of triethyl-[(4-phenoxyphenyl)methyl]azanium?
The IUPAC name of triethyl-[(4-phenoxyphenyl)methyl]azanium (CID 19809811) is triethyl-[(4-phenoxyphenyl)methyl]azanium.
What is the SMILES notation for triethyl-[(4-phenoxyphenyl)methyl]azanium?
The canonical SMILES for triethyl-[(4-phenoxyphenyl)methyl]azanium is CC[N+](CC)(CC)Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of triethyl-[(4-phenoxyphenyl)methyl]azanium?
The InChIKey is AECLDAAVYIFJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26NO/c1-4-20(5-2,6-3)16-17-12-14-19(15-13-17)21-18-10-8-7-9-11-18/h7-15H,4-6,16H2,1-3H3/q+1.
What are the key properties of triethyl-[(4-phenoxyphenyl)methyl]azanium?
triethyl-[(4-phenoxyphenyl)methyl]azanium has a molecular weight of 284.42 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(4-phenoxyphenyl)methyl]azanium is sourced from PubChem (CID 19809811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).