methyl 2-(2,4-dimethylanilino)acetate

C11H15NO2 — CID 28564487

IUPACmethyl 2-(2,4-dimethylanilino)acetate
SMILESCOC(=O)CNc1ccc(C)cc1C
InChIInChI=1S/C11H15NO2/c1-8-4-5-10(9(2)6-8)12-7-11(13)14-3/h4-6,12H,7H2,1-3H3
InChIKeySDVHTXFQJRASCB-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.89
Rot. Bonds3

About methyl 2-(2,4-dimethylanilino)acetate

methyl 2-(2,4-dimethylanilino)acetate (PubChem CID 28564487) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 2-(2,4-dimethylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2,4-dimethylanilino)acetate
PubChem CID28564487
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 2-(2,4-dimethylanilino)acetate
SMILESCOC(=O)CNc1ccc(C)cc1C
InChIInChI=1S/C11H15NO2/c1-8-4-5-10(9(2)6-8)12-7-11(13)14-3/h4-6,12H,7H2,1-3H3
InChIKeySDVHTXFQJRASCB-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-methoxy-3,5-dimethylanilino)acetate
CID 115232671
methyl 2-(5-methyl-2-nitroanilino)acetate
CID 58926520
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylanilino)acetamide
CID 9081068
2-(2,4-dimethylanilino)ethanethioamide
CID 82075991
methyl 2-(5-bromo-2-methylanilino)acetate
CID 43806066
1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone
CID 12909509
2-(2,4-dimethylanilino)-N-prop-2-enylacetamide
CID 39243861
2-(3,4-dimethoxyphenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
CID 9432559
methyl 2-[3-methyl-4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenoxy]acetate
CID 60538938
ethyl 3-[[2-(2,4-dimethylanilino)acetyl]hydrazinylidene]butanoate
CID 3978310
2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)acetamide
CID 9081080
methyl 3-(2,5-dimethylanilino)propanoate
CID 12999019

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dimethylanilino)acetate?
The IUPAC name of methyl 2-(2,4-dimethylanilino)acetate (CID 28564487) is methyl 2-(2,4-dimethylanilino)acetate.
What is the SMILES notation for methyl 2-(2,4-dimethylanilino)acetate?
The canonical SMILES for methyl 2-(2,4-dimethylanilino)acetate is COC(=O)CNc1ccc(C)cc1C.
What is the InChIKey of methyl 2-(2,4-dimethylanilino)acetate?
The InChIKey is SDVHTXFQJRASCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-4-5-10(9(2)6-8)12-7-11(13)14-3/h4-6,12H,7H2,1-3H3.
What are the key properties of methyl 2-(2,4-dimethylanilino)acetate?
methyl 2-(2,4-dimethylanilino)acetate has a molecular weight of 193.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dimethylanilino)acetate is sourced from PubChem (CID 28564487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).