2-aminooxyethyl(triphenyl)phosphanium

C20H21NOP+ — CID 88919899

IUPAC2-aminooxyethyl(triphenyl)phosphanium
SMILESNOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NOP/c21-22-16-17-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17,21H2/q+1
InChIKeyHEGFLJVNQHHHDU-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.87
Rot. Bonds6

About 2-aminooxyethyl(triphenyl)phosphanium

2-aminooxyethyl(triphenyl)phosphanium (PubChem CID 88919899) has the molecular formula C20H21NOP+ and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-aminooxyethyl(triphenyl)phosphanium.

Molecular Properties

Compound Name2-aminooxyethyl(triphenyl)phosphanium
PubChem CID88919899
Molecular FormulaC20H21NOP+
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-aminooxyethyl(triphenyl)phosphanium
SMILESNOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NOP/c21-22-16-17-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17,21H2/q+1
InChIKeyHEGFLJVNQHHHDU-UHFFFAOYSA-N
XLogP2.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminooxyethyl(triphenyl)phosphanium?
The IUPAC name of 2-aminooxyethyl(triphenyl)phosphanium (CID 88919899) is 2-aminooxyethyl(triphenyl)phosphanium.
What is the SMILES notation for 2-aminooxyethyl(triphenyl)phosphanium?
The canonical SMILES for 2-aminooxyethyl(triphenyl)phosphanium is NOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-aminooxyethyl(triphenyl)phosphanium?
The InChIKey is HEGFLJVNQHHHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NOP/c21-22-16-17-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17,21H2/q+1.
What are the key properties of 2-aminooxyethyl(triphenyl)phosphanium?
2-aminooxyethyl(triphenyl)phosphanium has a molecular weight of 322.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxyethyl(triphenyl)phosphanium is sourced from PubChem (CID 88919899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).