bis(2-amino-1-phenylethoxy)-oxophosphanium

C16H20N2O3P+ — CID 57183695

IUPACbis(2-amino-1-phenylethoxy)-oxophosphanium
SMILESNCC(O[P+](=O)OC(CN)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2O3P/c17-11-15(13-7-3-1-4-8-13)20-22(19)21-16(12-18)14-9-5-2-6-10-14/h1-10,15-16H,11-12,17-18H2/q+1
InChIKeySGWSMWRBKBGPLA-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.08
Rot. Bonds8

About bis(2-amino-1-phenylethoxy)-oxophosphanium

bis(2-amino-1-phenylethoxy)-oxophosphanium (PubChem CID 57183695) has the molecular formula C16H20N2O3P+ and a molecular weight of 319.32 g/mol. Its IUPAC name is bis(2-amino-1-phenylethoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2-amino-1-phenylethoxy)-oxophosphanium
PubChem CID57183695
Molecular FormulaC16H20N2O3P+
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Namebis(2-amino-1-phenylethoxy)-oxophosphanium
SMILESNCC(O[P+](=O)OC(CN)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2O3P/c17-11-15(13-7-3-1-4-8-13)20-22(19)21-16(12-18)14-9-5-2-6-10-14/h1-10,15-16H,11-12,17-18H2/q+1
InChIKeySGWSMWRBKBGPLA-UHFFFAOYSA-N
XLogP3.08
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-amino-1-phenylethoxy)-oxophosphanium?
The IUPAC name of bis(2-amino-1-phenylethoxy)-oxophosphanium (CID 57183695) is bis(2-amino-1-phenylethoxy)-oxophosphanium.
What is the SMILES notation for bis(2-amino-1-phenylethoxy)-oxophosphanium?
The canonical SMILES for bis(2-amino-1-phenylethoxy)-oxophosphanium is NCC(O[P+](=O)OC(CN)c1ccccc1)c1ccccc1.
What is the InChIKey of bis(2-amino-1-phenylethoxy)-oxophosphanium?
The InChIKey is SGWSMWRBKBGPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3P/c17-11-15(13-7-3-1-4-8-13)20-22(19)21-16(12-18)14-9-5-2-6-10-14/h1-10,15-16H,11-12,17-18H2/q+1.
What are the key properties of bis(2-amino-1-phenylethoxy)-oxophosphanium?
bis(2-amino-1-phenylethoxy)-oxophosphanium has a molecular weight of 319.32 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-amino-1-phenylethoxy)-oxophosphanium is sourced from PubChem (CID 57183695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).