(3-aminophenyl) diethyl phosphate

C10H16NO4P — CID 86127632

IUPAC(3-aminophenyl) diethyl phosphate
SMILESCCOP(=O)(OCC)Oc1cccc(N)c1
InChIInChI=1S/C10H16NO4P/c1-3-13-16(12,14-4-2)15-10-7-5-6-9(11)8-10/h5-8H,3-4,11H2,1-2H3
InChIKeyUVXBKHTVWQUMEE-UHFFFAOYSA-N
MW245.22 g/mol
LogP2.83
Rot. Bonds6

About (3-aminophenyl) diethyl phosphate

(3-aminophenyl) diethyl phosphate (PubChem CID 86127632) has the molecular formula C10H16NO4P and a molecular weight of 245.22 g/mol. Its IUPAC name is (3-aminophenyl) diethyl phosphate.

Molecular Properties

Compound Name(3-aminophenyl) diethyl phosphate
PubChem CID86127632
Molecular FormulaC10H16NO4P
Molecular Weight245.22 g/mol
Exact Mass245.08
IUPAC Name(3-aminophenyl) diethyl phosphate
SMILESCCOP(=O)(OCC)Oc1cccc(N)c1
InChIInChI=1S/C10H16NO4P/c1-3-13-16(12,14-4-2)15-10-7-5-6-9(11)8-10/h5-8H,3-4,11H2,1-2H3
InChIKeyUVXBKHTVWQUMEE-UHFFFAOYSA-N
XLogP2.83
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 52.83
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

[3,5-bis(diethoxyphosphoryloxy)phenyl] diethyl phosphate
CID 101168778
diethyl (3-nitrophenyl) phosphate
CID 521179
diethyl [3-[(E)-2-pyridin-4-ylethenyl]phenyl] phosphate
CID 125496991
(4-chloro-3-methylphenyl) diethyl phosphate
CID 118592997
(4-aminophenyl) (2,6-dimethylphenyl) (4-methylphenyl) phosphate;bis(3-aminophenyl) (2,6-dimethylphenyl) phosphate;bis(3-aminophenyl) phenyl phosphate;bis(4-aminophenyl) phenyl phosphate
CID 157395904
diethyl (4-formylphenyl) phosphate
CID 10539111
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
ethyl bis(4-hydroxyphenyl) phosphate
CID 137357860
3-methoxyaniline;sulfane
CID 174447811
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
3-(2,2-diethoxyethoxy)aniline
CID 81089807
(3-aminophenyl) hydrogen sulfate;1-ethylsulfonylethane
CID 174344556

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl) diethyl phosphate?
The IUPAC name of (3-aminophenyl) diethyl phosphate (CID 86127632) is (3-aminophenyl) diethyl phosphate.
What is the SMILES notation for (3-aminophenyl) diethyl phosphate?
The canonical SMILES for (3-aminophenyl) diethyl phosphate is CCOP(=O)(OCC)Oc1cccc(N)c1.
What is the InChIKey of (3-aminophenyl) diethyl phosphate?
The InChIKey is UVXBKHTVWQUMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO4P/c1-3-13-16(12,14-4-2)15-10-7-5-6-9(11)8-10/h5-8H,3-4,11H2,1-2H3.
What are the key properties of (3-aminophenyl) diethyl phosphate?
(3-aminophenyl) diethyl phosphate has a molecular weight of 245.22 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl) diethyl phosphate is sourced from PubChem (CID 86127632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).