tribenzyl(2-hydroxyethyl)azanium

C23H26NO+ — CID 102387440

IUPACtribenzyl(2-hydroxyethyl)azanium
SMILESOCC[N+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H26NO/c25-17-16-24(18-21-10-4-1-5-11-21,19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15,25H,16-20H2/q+1
InChIKeyUJYDRZWDVSZOIP-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.40
Rot. Bonds8

About tribenzyl(2-hydroxyethyl)azanium

tribenzyl(2-hydroxyethyl)azanium (PubChem CID 102387440) has the molecular formula C23H26NO+ and a molecular weight of 332.47 g/mol. Its IUPAC name is tribenzyl(2-hydroxyethyl)azanium.

Molecular Properties

Compound Nametribenzyl(2-hydroxyethyl)azanium
PubChem CID102387440
Molecular FormulaC23H26NO+
Molecular Weight332.47 g/mol
Exact Mass332.20
IUPAC Nametribenzyl(2-hydroxyethyl)azanium
SMILESOCC[N+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H26NO/c25-17-16-24(18-21-10-4-1-5-11-21,19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15,25H,16-20H2/q+1
InChIKeyUJYDRZWDVSZOIP-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(benzyl-tris(2-hydroxyethyl)azanium);dioxido(oxo)silane
CID 23333432
2-hydroxyethyl-dimethyl-(2-phenylethyl)azanium
CID 10826158
tribenzyl(2-hydroxypropyl)azanium
CID 58570197
tribenzyl-[2-[2-[2-(tribenzylazaniumyl)ethoxy]ethoxy]ethyl]azanium dibromide
CID 44889286
3-(4-benzoylphenoxy)propyl-benzyl-bis(2-hydroxyethyl)azanium
CID 89415462
benzyl-bis(2-hydroxyethyl)-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-2-hydroxypentadecyl)azanium
CID 101142280
tribenzyl(heptadecyl)azanium
CID 87810637
dibenzyl(dipropyl)azanium iodide
CID 87776687
dibenzyl(dihydroxy)azanium
CID 87501623
tribenzyl(heptyl)azanium iodide
CID 87777653
tribenzyl(decyl)azanium iodide
CID 87778750
tribenzyl(tetradecyl)azanium bromide
CID 87777599

Frequently Asked Questions

What is the IUPAC name of tribenzyl(2-hydroxyethyl)azanium?
The IUPAC name of tribenzyl(2-hydroxyethyl)azanium (CID 102387440) is tribenzyl(2-hydroxyethyl)azanium.
What is the SMILES notation for tribenzyl(2-hydroxyethyl)azanium?
The canonical SMILES for tribenzyl(2-hydroxyethyl)azanium is OCC[N+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of tribenzyl(2-hydroxyethyl)azanium?
The InChIKey is UJYDRZWDVSZOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26NO/c25-17-16-24(18-21-10-4-1-5-11-21,19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15,25H,16-20H2/q+1.
What are the key properties of tribenzyl(2-hydroxyethyl)azanium?
tribenzyl(2-hydroxyethyl)azanium has a molecular weight of 332.47 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzyl(2-hydroxyethyl)azanium is sourced from PubChem (CID 102387440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).