2-aminoethyl-oxo-phenoxyphosphanium

C8H11NO2P+ — CID 90917693

IUPAC2-aminoethyl-oxo-phenoxyphosphanium
SMILESNCC[P+](=O)Oc1ccccc1
InChIInChI=1S/C8H11NO2P/c9-6-7-12(10)11-8-4-2-1-3-5-8/h1-5H,6-7,9H2/q+1
InChIKeyFFBDNLMPFOJRTD-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.77
Rot. Bonds4

About 2-aminoethyl-oxo-phenoxyphosphanium

2-aminoethyl-oxo-phenoxyphosphanium (PubChem CID 90917693) has the molecular formula C8H11NO2P+ and a molecular weight of 184.16 g/mol. Its IUPAC name is 2-aminoethyl-oxo-phenoxyphosphanium.

Molecular Properties

Compound Name2-aminoethyl-oxo-phenoxyphosphanium
PubChem CID90917693
Molecular FormulaC8H11NO2P+
Molecular Weight184.16 g/mol
Exact Mass184.05
IUPAC Name2-aminoethyl-oxo-phenoxyphosphanium
SMILESNCC[P+](=O)Oc1ccccc1
InChIInChI=1S/C8H11NO2P/c9-6-7-12(10)11-8-4-2-1-3-5-8/h1-5H,6-7,9H2/q+1
InChIKeyFFBDNLMPFOJRTD-UHFFFAOYSA-N
XLogP1.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl-oxo-phenoxyphosphanium?
The IUPAC name of 2-aminoethyl-oxo-phenoxyphosphanium (CID 90917693) is 2-aminoethyl-oxo-phenoxyphosphanium.
What is the SMILES notation for 2-aminoethyl-oxo-phenoxyphosphanium?
The canonical SMILES for 2-aminoethyl-oxo-phenoxyphosphanium is NCC[P+](=O)Oc1ccccc1.
What is the InChIKey of 2-aminoethyl-oxo-phenoxyphosphanium?
The InChIKey is FFBDNLMPFOJRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2P/c9-6-7-12(10)11-8-4-2-1-3-5-8/h1-5H,6-7,9H2/q+1.
What are the key properties of 2-aminoethyl-oxo-phenoxyphosphanium?
2-aminoethyl-oxo-phenoxyphosphanium has a molecular weight of 184.16 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl-oxo-phenoxyphosphanium is sourced from PubChem (CID 90917693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).