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

C14H16NO3P — CID 624025

IUPACN-[(2-methoxyphenoxy)-methylphosphoryl]aniline
SMILESCOc1ccccc1OP(C)(=O)Nc1ccccc1
InChIInChI=1S/C14H16NO3P/c1-17-13-10-6-7-11-14(13)18-19(2,16)15-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,15,16)
InChIKeyOMEIYWCDRZIRGQ-UHFFFAOYSA-N
MW277.26 g/mol
LogP4.01
Rot. Bonds5

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

N-[(2-methoxyphenoxy)-methylphosphoryl]aniline (PubChem CID 624025) has the molecular formula C14H16NO3P and a molecular weight of 277.26 g/mol. Its IUPAC name is N-[(2-methoxyphenoxy)-methylphosphoryl]aniline.

Molecular Properties

Compound NameN-[(2-methoxyphenoxy)-methylphosphoryl]aniline
PubChem CID624025
Molecular FormulaC14H16NO3P
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC NameN-[(2-methoxyphenoxy)-methylphosphoryl]aniline
SMILESCOc1ccccc1OP(C)(=O)Nc1ccccc1
InChIInChI=1S/C14H16NO3P/c1-17-13-10-6-7-11-14(13)18-19(2,16)15-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,15,16)
InChIKeyOMEIYWCDRZIRGQ-UHFFFAOYSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-diphenoxyphosphoryl-3-methoxyaniline
CID 2305383
4-(2-Methoxyphenoxy)aniline
CID 1121067
N-[(2-methoxyphenoxy)-methylphosphoryl]-4-methylaniline
CID 651010
N-(4-fluorophenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-amine 3-oxide
CID 666967
2-methoxyphenyl N-(2,4-dimethylphenyl)-P-methylphosphonamidoate
CID 813815
4-bromo-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline
CID 1101259
4-methoxy-N-[(4-methoxyanilino)-phenoxyphosphoryl]aniline
CID 2305211
Methylphosphonoamidate, o-(2-methoxyphenyl)-N-(2,6-dimethylphenyl)-
CID 602836
N-[methyl(phenoxy)phosphoryl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 878518
2-methoxyphenyl N-(3,4-dimethylphenyl)-P-methylphosphonamidoate
CID 655612
4-methoxy-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline
CID 813791
3-bromo-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline
CID 1049520

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenoxy)-methylphosphoryl]aniline?
The IUPAC name of N-[(2-methoxyphenoxy)-methylphosphoryl]aniline (CID 624025) is N-[(2-methoxyphenoxy)-methylphosphoryl]aniline.
What is the SMILES notation for N-[(2-methoxyphenoxy)-methylphosphoryl]aniline?
The canonical SMILES for N-[(2-methoxyphenoxy)-methylphosphoryl]aniline is COc1ccccc1OP(C)(=O)Nc1ccccc1.
What is the InChIKey of N-[(2-methoxyphenoxy)-methylphosphoryl]aniline?
The InChIKey is OMEIYWCDRZIRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO3P/c1-17-13-10-6-7-11-14(13)18-19(2,16)15-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,15,16).
What are the key properties of N-[(2-methoxyphenoxy)-methylphosphoryl]aniline?
N-[(2-methoxyphenoxy)-methylphosphoryl]aniline has a molecular weight of 277.26 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenoxy)-methylphosphoryl]aniline is sourced from PubChem (CID 624025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).