4-methoxy-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline

C15H18NO4P — CID 813791

IUPAC4-methoxy-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline
SMILESCOc1ccc(NP(C)(=O)Oc2ccccc2OC)cc1
InChIInChI=1S/C15H18NO4P/c1-18-13-10-8-12(9-11-13)16-21(3,17)20-15-7-5-4-6-14(15)19-2/h4-11H,1-3H3,(H,16,17)
InChIKeyZJCNBWBCHYCDPG-UHFFFAOYSA-N
MW307.29 g/mol
LogP4.02
Rot. Bonds6

About 4-methoxy-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline

4-methoxy-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline (PubChem CID 813791) has the molecular formula C15H18NO4P and a molecular weight of 307.29 g/mol. Its IUPAC name is 4-methoxy-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline
PubChem CID813791
Molecular FormulaC15H18NO4P
Molecular Weight307.29 g/mol
Exact Mass307.10
IUPAC Name4-methoxy-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline
SMILESCOc1ccc(NP(C)(=O)Oc2ccccc2OC)cc1
InChIInChI=1S/C15H18NO4P/c1-18-13-10-8-12(9-11-13)16-21(3,17)20-15-7-5-4-6-14(15)19-2/h4-11H,1-3H3,(H,16,17)
InChIKeyZJCNBWBCHYCDPG-UHFFFAOYSA-N
XLogP4.02
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline?
The IUPAC name of 4-methoxy-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline (CID 813791) is 4-methoxy-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline.
What is the SMILES notation for 4-methoxy-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline?
The canonical SMILES for 4-methoxy-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline is COc1ccc(NP(C)(=O)Oc2ccccc2OC)cc1.
What is the InChIKey of 4-methoxy-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline?
The InChIKey is ZJCNBWBCHYCDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO4P/c1-18-13-10-8-12(9-11-13)16-21(3,17)20-15-7-5-4-6-14(15)19-2/h4-11H,1-3H3,(H,16,17).
What are the key properties of 4-methoxy-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline?
4-methoxy-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline has a molecular weight of 307.29 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline is sourced from PubChem (CID 813791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).