bis[amino(phenyl)methoxy]-oxophosphanium

C14H16N2O3P+ — CID 118353095

IUPACbis[amino(phenyl)methoxy]-oxophosphanium
SMILESNC(O[P+](=O)OC(N)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16N2O3P/c15-13(11-7-3-1-4-8-11)18-20(17)19-14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/q+1
InChIKeyLHUUCVZPFNBVTR-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.99
Rot. Bonds6

About bis[amino(phenyl)methoxy]-oxophosphanium

bis[amino(phenyl)methoxy]-oxophosphanium (PubChem CID 118353095) has the molecular formula C14H16N2O3P+ and a molecular weight of 291.27 g/mol. Its IUPAC name is bis[amino(phenyl)methoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[amino(phenyl)methoxy]-oxophosphanium
PubChem CID118353095
Molecular FormulaC14H16N2O3P+
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Namebis[amino(phenyl)methoxy]-oxophosphanium
SMILESNC(O[P+](=O)OC(N)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16N2O3P/c15-13(11-7-3-1-4-8-11)18-20(17)19-14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/q+1
InChIKeyLHUUCVZPFNBVTR-UHFFFAOYSA-N
XLogP2.99
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[amino(phenyl)methoxy]-oxophosphanium?
The IUPAC name of bis[amino(phenyl)methoxy]-oxophosphanium (CID 118353095) is bis[amino(phenyl)methoxy]-oxophosphanium.
What is the SMILES notation for bis[amino(phenyl)methoxy]-oxophosphanium?
The canonical SMILES for bis[amino(phenyl)methoxy]-oxophosphanium is NC(O[P+](=O)OC(N)c1ccccc1)c1ccccc1.
What is the InChIKey of bis[amino(phenyl)methoxy]-oxophosphanium?
The InChIKey is LHUUCVZPFNBVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3P/c15-13(11-7-3-1-4-8-11)18-20(17)19-14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/q+1.
What are the key properties of bis[amino(phenyl)methoxy]-oxophosphanium?
bis[amino(phenyl)methoxy]-oxophosphanium has a molecular weight of 291.27 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[amino(phenyl)methoxy]-oxophosphanium is sourced from PubChem (CID 118353095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).