N-[(2,4-dimethylanilino)-ethoxyphosphoryl]-2,4-dimethylaniline

C18H25N2O2P — CID 6431964

IUPACN-[(2,4-dimethylanilino)-ethoxyphosphoryl]-2,4-dimethylaniline
SMILESCCOP(=O)(Nc1ccc(C)cc1C)Nc1ccc(C)cc1C
InChIInChI=1S/C18H25N2O2P/c1-6-22-23(21,19-17-9-7-13(2)11-15(17)4)20-18-10-8-14(3)12-16(18)5/h7-12H,6H2,1-5H3,(H2,19,20,21)
InChIKeyMXPYFDYSXONIRX-UHFFFAOYSA-N
MW332.38 g/mol
LogP5.59
Rot. Bonds6

About N-[(2,4-dimethylanilino)-ethoxyphosphoryl]-2,4-dimethylaniline

N-[(2,4-dimethylanilino)-ethoxyphosphoryl]-2,4-dimethylaniline (PubChem CID 6431964) has the molecular formula C18H25N2O2P and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[(2,4-dimethylanilino)-ethoxyphosphoryl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[(2,4-dimethylanilino)-ethoxyphosphoryl]-2,4-dimethylaniline
PubChem CID6431964
Molecular FormulaC18H25N2O2P
Molecular Weight332.38 g/mol
Exact Mass332.17
IUPAC NameN-[(2,4-dimethylanilino)-ethoxyphosphoryl]-2,4-dimethylaniline
SMILESCCOP(=O)(Nc1ccc(C)cc1C)Nc1ccc(C)cc1C
InChIInChI=1S/C18H25N2O2P/c1-6-22-23(21,19-17-9-7-13(2)11-15(17)4)20-18-10-8-14(3)12-16(18)5/h7-12H,6H2,1-5H3,(H2,19,20,21)
InChIKeyMXPYFDYSXONIRX-UHFFFAOYSA-N
XLogP5.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.38
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylanilino)-ethoxyphosphoryl]-2,4-dimethylaniline?
The IUPAC name of N-[(2,4-dimethylanilino)-ethoxyphosphoryl]-2,4-dimethylaniline (CID 6431964) is N-[(2,4-dimethylanilino)-ethoxyphosphoryl]-2,4-dimethylaniline.
What is the SMILES notation for N-[(2,4-dimethylanilino)-ethoxyphosphoryl]-2,4-dimethylaniline?
The canonical SMILES for N-[(2,4-dimethylanilino)-ethoxyphosphoryl]-2,4-dimethylaniline is CCOP(=O)(Nc1ccc(C)cc1C)Nc1ccc(C)cc1C.
What is the InChIKey of N-[(2,4-dimethylanilino)-ethoxyphosphoryl]-2,4-dimethylaniline?
The InChIKey is MXPYFDYSXONIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N2O2P/c1-6-22-23(21,19-17-9-7-13(2)11-15(17)4)20-18-10-8-14(3)12-16(18)5/h7-12H,6H2,1-5H3,(H2,19,20,21).
What are the key properties of N-[(2,4-dimethylanilino)-ethoxyphosphoryl]-2,4-dimethylaniline?
N-[(2,4-dimethylanilino)-ethoxyphosphoryl]-2,4-dimethylaniline has a molecular weight of 332.38 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylanilino)-ethoxyphosphoryl]-2,4-dimethylaniline is sourced from PubChem (CID 6431964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).