[4-(dimethylamino)phenyl] acetate

C10H13NO2 — CID 586356

IUPAC[4-(dimethylamino)phenyl] acetate
SMILESCC(=O)Oc1ccc(N(C)C)cc1
InChIInChI=1S/C10H13NO2/c1-8(12)13-10-6-4-9(5-7-10)11(2)3/h4-7H,1-3H3
InChIKeyPNRGDOGLWVWMHC-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.68
Rot. Bonds2

About [4-(dimethylamino)phenyl] acetate

[4-(dimethylamino)phenyl] acetate (PubChem CID 586356) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl] acetate.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl] acetate
PubChem CID586356
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name[4-(dimethylamino)phenyl] acetate
SMILESCC(=O)Oc1ccc(N(C)C)cc1
InChIInChI=1S/C10H13NO2/c1-8(12)13-10-6-4-9(5-7-10)11(2)3/h4-7H,1-3H3
InChIKeyPNRGDOGLWVWMHC-UHFFFAOYSA-N
XLogP1.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(dimethylcarbamoyl)phenyl] acetate
CID 3357388
[4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane
CID 23618192
[4-[(dimethylamino)methyl]phenyl] acetate
CID 102268693
(4-acetyloxyphenyl) acetate;ethanamine
CID 160806185
(4-chlorophenyl) acetate
CID 13410
(4-methylphenyl) acetate;zinc
CID 159589232
[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate
CID 163460715
[4-[4-(dipropylamino)phenoxy]carbonylphenyl] 4-acetyloxybenzoate
CID 122542341
[4-[C-methyl-N-(N-methylanilino)carbonimidoyl]phenyl] acetate
CID 139783652
2-[4-(dimethylamino)phenoxy]-2-oxoacetic acid;toluene
CID 173323339
[4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane
CID 91153786
methyl 2-(N-acetyl-4-acetyloxyanilino)acetate
CID 22630317

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl] acetate?
The IUPAC name of [4-(dimethylamino)phenyl] acetate (CID 586356) is [4-(dimethylamino)phenyl] acetate.
What is the SMILES notation for [4-(dimethylamino)phenyl] acetate?
The canonical SMILES for [4-(dimethylamino)phenyl] acetate is CC(=O)Oc1ccc(N(C)C)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl] acetate?
The InChIKey is PNRGDOGLWVWMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(12)13-10-6-4-9(5-7-10)11(2)3/h4-7H,1-3H3.
What are the key properties of [4-(dimethylamino)phenyl] acetate?
[4-(dimethylamino)phenyl] acetate has a molecular weight of 179.22 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl] acetate is sourced from PubChem (CID 586356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).