(3-amino-2,4,6-trimethylphenyl) acetate

C11H15NO2 — CID 10797860

IUPAC(3-amino-2,4,6-trimethylphenyl) acetate
SMILESCC(=O)Oc1c(C)cc(C)c(N)c1C
InChIInChI=1S/C11H15NO2/c1-6-5-7(2)11(14-9(4)13)8(3)10(6)12/h5H,12H2,1-4H3
InChIKeyQETLPDRIQFUMCD-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.12
Rot. Bonds1

About (3-amino-2,4,6-trimethylphenyl) acetate

(3-amino-2,4,6-trimethylphenyl) acetate (PubChem CID 10797860) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3-amino-2,4,6-trimethylphenyl) acetate.

Molecular Properties

Compound Name(3-amino-2,4,6-trimethylphenyl) acetate
PubChem CID10797860
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3-amino-2,4,6-trimethylphenyl) acetate
SMILESCC(=O)Oc1c(C)cc(C)c(N)c1C
InChIInChI=1S/C11H15NO2/c1-6-5-7(2)11(14-9(4)13)8(3)10(6)12/h5H,12H2,1-4H3
InChIKeyQETLPDRIQFUMCD-UHFFFAOYSA-N
XLogP2.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2,4,6-trimethylphenyl) acetate?
The IUPAC name of (3-amino-2,4,6-trimethylphenyl) acetate (CID 10797860) is (3-amino-2,4,6-trimethylphenyl) acetate.
What is the SMILES notation for (3-amino-2,4,6-trimethylphenyl) acetate?
The canonical SMILES for (3-amino-2,4,6-trimethylphenyl) acetate is CC(=O)Oc1c(C)cc(C)c(N)c1C.
What is the InChIKey of (3-amino-2,4,6-trimethylphenyl) acetate?
The InChIKey is QETLPDRIQFUMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-6-5-7(2)11(14-9(4)13)8(3)10(6)12/h5H,12H2,1-4H3.
What are the key properties of (3-amino-2,4,6-trimethylphenyl) acetate?
(3-amino-2,4,6-trimethylphenyl) acetate has a molecular weight of 193.25 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,4,6-trimethylphenyl) acetate is sourced from PubChem (CID 10797860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).