diphenoxyphosphoryl(pyridin-4-yl)methanamine

C18H17N2O3P — CID 54492241

IUPACdiphenoxyphosphoryl(pyridin-4-yl)methanamine
SMILESNC(c1ccncc1)P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H17N2O3P/c19-18(15-11-13-20-14-12-15)24(21,22-16-7-3-1-4-8-16)23-17-9-5-2-6-10-17/h1-14,18H,19H2
InChIKeyXWNWQRZSSQHSRS-UHFFFAOYSA-N
MW340.32 g/mol
LogP4.39
Rot. Bonds6

About diphenoxyphosphoryl(pyridin-4-yl)methanamine

diphenoxyphosphoryl(pyridin-4-yl)methanamine (PubChem CID 54492241) has the molecular formula C18H17N2O3P and a molecular weight of 340.32 g/mol. Its IUPAC name is diphenoxyphosphoryl(pyridin-4-yl)methanamine.

Molecular Properties

Compound Namediphenoxyphosphoryl(pyridin-4-yl)methanamine
PubChem CID54492241
Molecular FormulaC18H17N2O3P
Molecular Weight340.32 g/mol
Exact Mass340.10
IUPAC Namediphenoxyphosphoryl(pyridin-4-yl)methanamine
SMILESNC(c1ccncc1)P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H17N2O3P/c19-18(15-11-13-20-14-12-15)24(21,22-16-7-3-1-4-8-16)23-17-9-5-2-6-10-17/h1-14,18H,19H2
InChIKeyXWNWQRZSSQHSRS-UHFFFAOYSA-N
XLogP4.39
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 54.39
H-Bond Donors ≤ 51
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 diphenoxyphosphoryl(pyridin-4-yl)methanamine?
The IUPAC name of diphenoxyphosphoryl(pyridin-4-yl)methanamine (CID 54492241) is diphenoxyphosphoryl(pyridin-4-yl)methanamine.
What is the SMILES notation for diphenoxyphosphoryl(pyridin-4-yl)methanamine?
The canonical SMILES for diphenoxyphosphoryl(pyridin-4-yl)methanamine is NC(c1ccncc1)P(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenoxyphosphoryl(pyridin-4-yl)methanamine?
The InChIKey is XWNWQRZSSQHSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2O3P/c19-18(15-11-13-20-14-12-15)24(21,22-16-7-3-1-4-8-16)23-17-9-5-2-6-10-17/h1-14,18H,19H2.
What are the key properties of diphenoxyphosphoryl(pyridin-4-yl)methanamine?
diphenoxyphosphoryl(pyridin-4-yl)methanamine has a molecular weight of 340.32 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diphenoxyphosphoryl(pyridin-4-yl)methanamine is sourced from PubChem (CID 54492241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).