ethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate

C14H21NO2 — CID 115257415

IUPACethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate
SMILESCCOC(=O)CN(C)Cc1ccc(C)cc1C
InChIInChI=1S/C14H21NO2/c1-5-17-14(16)10-15(4)9-13-7-6-11(2)8-12(13)3/h6-8H,5,9-10H2,1-4H3
InChIKeyKGOGFUKAGAMOFM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.30
Rot. Bonds5

About ethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate

ethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate (PubChem CID 115257415) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate
PubChem CID115257415
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate
SMILESCCOC(=O)CN(C)Cc1ccc(C)cc1C
InChIInChI=1S/C14H21NO2/c1-5-17-14(16)10-15(4)9-13-7-6-11(2)8-12(13)3/h6-8H,5,9-10H2,1-4H3
InChIKeyKGOGFUKAGAMOFM-UHFFFAOYSA-N
XLogP2.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2,4-dimethylphenyl)methyl-methylamino]-3-oxobutanenitrile
CID 117038452
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 9045250
N-(2,5-dimethylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045365
ethyl 3-oxo-3-(N,2,4-trimethylanilino)propanoate
CID 115138496
ethyl 2-[(2,3-diamino-6-ethylphenyl)methyl-methylamino]acetate
CID 10801656
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045908
4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 9045380
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045913
dimethyl 5-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzene-1,3-dicarboxylate
CID 9045702
5-[(2,4-dimethylphenyl)methyl-methylamino]pentanoic acid
CID 115219079
ethyl 2-[methyl(1H-pyrrol-2-ylmethyl)amino]acetate
CID 115257431
amino-[(2,4-dimethylphenyl)methyl]carbamic acid
CID 149436785

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate?
The IUPAC name of ethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate (CID 115257415) is ethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate?
The canonical SMILES for ethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate is CCOC(=O)CN(C)Cc1ccc(C)cc1C.
What is the InChIKey of ethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate?
The InChIKey is KGOGFUKAGAMOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-17-14(16)10-15(4)9-13-7-6-11(2)8-12(13)3/h6-8H,5,9-10H2,1-4H3.
What are the key properties of ethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate?
ethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate has a molecular weight of 235.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate is sourced from PubChem (CID 115257415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).