2-(2-aminoethoxy)ethyl-triphenylphosphanium iodide

C22H25INOP — CID 90424402

IUPAC2-(2-aminoethoxy)ethyl-triphenylphosphanium iodide
SMILESNCCOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C22H25NOP.HI/c23-16-17-24-18-19-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-15H,16-19,23H2;1H/q+1;/p-1
InChIKeyHJKLAFONKZOOIX-UHFFFAOYSA-M
MW477.33 g/mol
LogP-0.04
Rot. Bonds8

About 2-(2-aminoethoxy)ethyl-triphenylphosphanium iodide

2-(2-aminoethoxy)ethyl-triphenylphosphanium iodide (PubChem CID 90424402) has the molecular formula C22H25INOP and a molecular weight of 477.33 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethyl-triphenylphosphanium iodide.

Molecular Properties

Compound Name2-(2-aminoethoxy)ethyl-triphenylphosphanium iodide
PubChem CID90424402
Molecular FormulaC22H25INOP
Molecular Weight477.33 g/mol
Exact Mass477.07
IUPAC Name2-(2-aminoethoxy)ethyl-triphenylphosphanium iodide
SMILESNCCOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C22H25NOP.HI/c23-16-17-24-18-19-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-15H,16-19,23H2;1H/q+1;/p-1
InChIKeyHJKLAFONKZOOIX-UHFFFAOYSA-M
XLogP-0.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

triphenyl-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethyl]phosphanium;triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium
CID 162256436
2-aminooxyethyl(triphenyl)phosphanium
CID 88919899
2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium
CID 135362746
2-[2-[2-[2,5-dibromo-4-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl-triphenylphosphanium
CID 102205183
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-triphenylphosphanium
CID 21239171
aminomethyl(triphenyl)phosphanium
CID 155040126
triphenyl(propyl)phosphanium;hydrochloride
CID 118516578
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
2-[2-[methyl(methylcarbamoyl)amino]ethoxy]ethyl-triphenylphosphanium
CID 118688441

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethyl-triphenylphosphanium iodide?
The IUPAC name of 2-(2-aminoethoxy)ethyl-triphenylphosphanium iodide (CID 90424402) is 2-(2-aminoethoxy)ethyl-triphenylphosphanium iodide.
What is the SMILES notation for 2-(2-aminoethoxy)ethyl-triphenylphosphanium iodide?
The canonical SMILES for 2-(2-aminoethoxy)ethyl-triphenylphosphanium iodide is NCCOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of 2-(2-aminoethoxy)ethyl-triphenylphosphanium iodide?
The InChIKey is HJKLAFONKZOOIX-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H25NOP.HI/c23-16-17-24-18-19-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-15H,16-19,23H2;1H/q+1;/p-1.
What are the key properties of 2-(2-aminoethoxy)ethyl-triphenylphosphanium iodide?
2-(2-aminoethoxy)ethyl-triphenylphosphanium iodide has a molecular weight of 477.33 g/mol, XLogP of -0.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)ethyl-triphenylphosphanium iodide is sourced from PubChem (CID 90424402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).