5-(diethoxyphosphorylmethyl)-N,N-diphenylpyridin-2-amine

C22H25N2O3P — CID 88888038

IUPAC5-(diethoxyphosphorylmethyl)-N,N-diphenylpyridin-2-amine
SMILESCCOP(=O)(Cc1ccc(N(c2ccccc2)c2ccccc2)nc1)OCC
InChIInChI=1S/C22H25N2O3P/c1-3-26-28(25,27-4-2)18-19-15-16-22(23-17-19)24(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-17H,3-4,18H2,1-2H3
InChIKeyCVMUFCKIKRCADY-UHFFFAOYSA-N
MW396.43 g/mol
LogP6.32
Rot. Bonds9

About 5-(diethoxyphosphorylmethyl)-N,N-diphenylpyridin-2-amine

5-(diethoxyphosphorylmethyl)-N,N-diphenylpyridin-2-amine (PubChem CID 88888038) has the molecular formula C22H25N2O3P and a molecular weight of 396.43 g/mol. Its IUPAC name is 5-(diethoxyphosphorylmethyl)-N,N-diphenylpyridin-2-amine.

Molecular Properties

Compound Name5-(diethoxyphosphorylmethyl)-N,N-diphenylpyridin-2-amine
PubChem CID88888038
Molecular FormulaC22H25N2O3P
Molecular Weight396.43 g/mol
Exact Mass396.16
IUPAC Name5-(diethoxyphosphorylmethyl)-N,N-diphenylpyridin-2-amine
SMILESCCOP(=O)(Cc1ccc(N(c2ccccc2)c2ccccc2)nc1)OCC
InChIInChI=1S/C22H25N2O3P/c1-3-26-28(25,27-4-2)18-19-15-16-22(23-17-19)24(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-17H,3-4,18H2,1-2H3
InChIKeyCVMUFCKIKRCADY-UHFFFAOYSA-N
XLogP6.32
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 56.32
H-Bond Donors ≤ 50
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 5-(diethoxyphosphorylmethyl)-N,N-diphenylpyridin-2-amine?
The IUPAC name of 5-(diethoxyphosphorylmethyl)-N,N-diphenylpyridin-2-amine (CID 88888038) is 5-(diethoxyphosphorylmethyl)-N,N-diphenylpyridin-2-amine.
What is the SMILES notation for 5-(diethoxyphosphorylmethyl)-N,N-diphenylpyridin-2-amine?
The canonical SMILES for 5-(diethoxyphosphorylmethyl)-N,N-diphenylpyridin-2-amine is CCOP(=O)(Cc1ccc(N(c2ccccc2)c2ccccc2)nc1)OCC.
What is the InChIKey of 5-(diethoxyphosphorylmethyl)-N,N-diphenylpyridin-2-amine?
The InChIKey is CVMUFCKIKRCADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N2O3P/c1-3-26-28(25,27-4-2)18-19-15-16-22(23-17-19)24(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-17H,3-4,18H2,1-2H3.
What are the key properties of 5-(diethoxyphosphorylmethyl)-N,N-diphenylpyridin-2-amine?
5-(diethoxyphosphorylmethyl)-N,N-diphenylpyridin-2-amine has a molecular weight of 396.43 g/mol, XLogP of 6.32, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethoxyphosphorylmethyl)-N,N-diphenylpyridin-2-amine is sourced from PubChem (CID 88888038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).