2-diethoxyphosphoryl-4-methoxyaniline

C11H18NO4P — CID 166610106

IUPAC2-diethoxyphosphoryl-4-methoxyaniline
SMILESCCOP(=O)(OCC)c1cc(OC)ccc1N
InChIInChI=1S/C11H18NO4P/c1-4-15-17(13,16-5-2)11-8-9(14-3)6-7-10(11)12/h6-8H,4-5,12H2,1-3H3
InChIKeyKOROORDUHHTPJD-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.17
Rot. Bonds6

About 2-diethoxyphosphoryl-4-methoxyaniline

2-diethoxyphosphoryl-4-methoxyaniline (PubChem CID 166610106) has the molecular formula C11H18NO4P and a molecular weight of 259.24 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-4-methoxyaniline.

Molecular Properties

Compound Name2-diethoxyphosphoryl-4-methoxyaniline
PubChem CID166610106
Molecular FormulaC11H18NO4P
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name2-diethoxyphosphoryl-4-methoxyaniline
SMILESCCOP(=O)(OCC)c1cc(OC)ccc1N
InChIInChI=1S/C11H18NO4P/c1-4-15-17(13,16-5-2)11-8-9(14-3)6-7-10(11)12/h6-8H,4-5,12H2,1-3H3
InChIKeyKOROORDUHHTPJD-UHFFFAOYSA-N
XLogP2.17
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-diethoxyphosphoryl-4-methoxyphenyl)-1-phenylethanone
CID 25146988
3-diethoxyphosphoryl-4-methylaniline
CID 166610077
(4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine
CID 89463039
(2-dipropoxyphosphoryl-4-methoxyphenyl)-(4-methoxyphenyl)diazene
CID 102531146
(2-diethoxyphosphoryl-4-methoxyphenyl) 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonate
CID 11519513
2-diethoxyphosphoryl-6-methylaniline
CID 54543104
(2-amino-5-methoxyphenyl) dihydrogen phosphate
CID 123556762
3-(2-amino-5-methoxyphenyl)pentan-3-ol
CID 67269604
(S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine
CID 171191866
2-[(R)-amino(diethoxyphosphoryl)methyl]-4-methoxyphenol
CID 171192137
ethyl 2-(2-amino-5-methoxyphenyl)propanoate
CID 106987688
1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene
CID 15272442

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-4-methoxyaniline?
The IUPAC name of 2-diethoxyphosphoryl-4-methoxyaniline (CID 166610106) is 2-diethoxyphosphoryl-4-methoxyaniline.
What is the SMILES notation for 2-diethoxyphosphoryl-4-methoxyaniline?
The canonical SMILES for 2-diethoxyphosphoryl-4-methoxyaniline is CCOP(=O)(OCC)c1cc(OC)ccc1N.
What is the InChIKey of 2-diethoxyphosphoryl-4-methoxyaniline?
The InChIKey is KOROORDUHHTPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO4P/c1-4-15-17(13,16-5-2)11-8-9(14-3)6-7-10(11)12/h6-8H,4-5,12H2,1-3H3.
What are the key properties of 2-diethoxyphosphoryl-4-methoxyaniline?
2-diethoxyphosphoryl-4-methoxyaniline has a molecular weight of 259.24 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-4-methoxyaniline is sourced from PubChem (CID 166610106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).