N-[(2,4-dichlorophenoxy)-methoxyphosphoryl]methanamine

C8H10Cl2NO3P — CID 23274177

IUPACN-[(2,4-dichlorophenoxy)-methoxyphosphoryl]methanamine
SMILESCNP(=O)(OC)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H10Cl2NO3P/c1-11-15(12,13-2)14-8-4-3-6(9)5-7(8)10/h3-5H,1-2H3,(H,11,12)
InChIKeyJTUFBTPCADYQPH-UHFFFAOYSA-N
MW270.05 g/mol
LogP3.35
Rot. Bonds4

About N-[(2,4-dichlorophenoxy)-methoxyphosphoryl]methanamine

N-[(2,4-dichlorophenoxy)-methoxyphosphoryl]methanamine (PubChem CID 23274177) has the molecular formula C8H10Cl2NO3P and a molecular weight of 270.05 g/mol. Its IUPAC name is N-[(2,4-dichlorophenoxy)-methoxyphosphoryl]methanamine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenoxy)-methoxyphosphoryl]methanamine
PubChem CID23274177
Molecular FormulaC8H10Cl2NO3P
Molecular Weight270.05 g/mol
Exact Mass268.98
IUPAC NameN-[(2,4-dichlorophenoxy)-methoxyphosphoryl]methanamine
SMILESCNP(=O)(OC)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H10Cl2NO3P/c1-11-15(12,13-2)14-8-4-3-6(9)5-7(8)10/h3-5H,1-2H3,(H,11,12)
InChIKeyJTUFBTPCADYQPH-UHFFFAOYSA-N
XLogP3.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-dichlorophenoxy)-methoxyphosphoryl]methanamine?
The IUPAC name of N-[(2,4-dichlorophenoxy)-methoxyphosphoryl]methanamine (CID 23274177) is N-[(2,4-dichlorophenoxy)-methoxyphosphoryl]methanamine.
What is the SMILES notation for N-[(2,4-dichlorophenoxy)-methoxyphosphoryl]methanamine?
The canonical SMILES for N-[(2,4-dichlorophenoxy)-methoxyphosphoryl]methanamine is CNP(=O)(OC)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenoxy)-methoxyphosphoryl]methanamine?
The InChIKey is JTUFBTPCADYQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2NO3P/c1-11-15(12,13-2)14-8-4-3-6(9)5-7(8)10/h3-5H,1-2H3,(H,11,12).
What are the key properties of N-[(2,4-dichlorophenoxy)-methoxyphosphoryl]methanamine?
N-[(2,4-dichlorophenoxy)-methoxyphosphoryl]methanamine has a molecular weight of 270.05 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenoxy)-methoxyphosphoryl]methanamine is sourced from PubChem (CID 23274177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).