bis[(2-aminophenyl)methoxy]-oxophosphanium

C14H16N2O3P+ — CID 57249184

IUPACbis[(2-aminophenyl)methoxy]-oxophosphanium
SMILESNc1ccccc1CO[P+](=O)OCc1ccccc1N
InChIInChI=1S/C14H16N2O3P/c15-13-7-3-1-5-11(13)9-18-20(17)19-10-12-6-2-4-8-14(12)16/h1-8H,9-10,15-16H2/q+1
InChIKeyOGDPEUDNCFSTSF-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.24
Rot. Bonds6

About bis[(2-aminophenyl)methoxy]-oxophosphanium

bis[(2-aminophenyl)methoxy]-oxophosphanium (PubChem CID 57249184) has the molecular formula C14H16N2O3P+ and a molecular weight of 291.27 g/mol. Its IUPAC name is bis[(2-aminophenyl)methoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[(2-aminophenyl)methoxy]-oxophosphanium
PubChem CID57249184
Molecular FormulaC14H16N2O3P+
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Namebis[(2-aminophenyl)methoxy]-oxophosphanium
SMILESNc1ccccc1CO[P+](=O)OCc1ccccc1N
InChIInChI=1S/C14H16N2O3P/c15-13-7-3-1-5-11(13)9-18-20(17)19-10-12-6-2-4-8-14(12)16/h1-8H,9-10,15-16H2/q+1
InChIKeyOGDPEUDNCFSTSF-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[(2-aminophenyl)methoxy]-oxophosphanium?
The IUPAC name of bis[(2-aminophenyl)methoxy]-oxophosphanium (CID 57249184) is bis[(2-aminophenyl)methoxy]-oxophosphanium.
What is the SMILES notation for bis[(2-aminophenyl)methoxy]-oxophosphanium?
The canonical SMILES for bis[(2-aminophenyl)methoxy]-oxophosphanium is Nc1ccccc1CO[P+](=O)OCc1ccccc1N.
What is the InChIKey of bis[(2-aminophenyl)methoxy]-oxophosphanium?
The InChIKey is OGDPEUDNCFSTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3P/c15-13-7-3-1-5-11(13)9-18-20(17)19-10-12-6-2-4-8-14(12)16/h1-8H,9-10,15-16H2/q+1.
What are the key properties of bis[(2-aminophenyl)methoxy]-oxophosphanium?
bis[(2-aminophenyl)methoxy]-oxophosphanium has a molecular weight of 291.27 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-aminophenyl)methoxy]-oxophosphanium is sourced from PubChem (CID 57249184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).