ethyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate

C12H15Cl2NO2 — CID 782393

IUPACethyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate
SMILESCCOC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-3-17-12(16)8-15(2)7-9-4-5-10(13)11(14)6-9/h4-6H,3,7-8H2,1-2H3
InChIKeyJPTFXRQNURUHJG-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.99
Rot. Bonds5

About ethyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate

ethyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate (PubChem CID 782393) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is ethyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate
PubChem CID782393
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Nameethyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate
SMILESCCOC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-3-17-12(16)8-15(2)7-9-4-5-10(13)11(14)6-9/h4-6H,3,7-8H2,1-2H3
InChIKeyJPTFXRQNURUHJG-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[(3,4-dichlorophenyl)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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate?
The IUPAC name of ethyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate (CID 782393) is ethyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate?
The canonical SMILES for ethyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate is CCOC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate?
The InChIKey is JPTFXRQNURUHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-3-17-12(16)8-15(2)7-9-4-5-10(13)11(14)6-9/h4-6H,3,7-8H2,1-2H3.
What are the key properties of ethyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate?
ethyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate has a molecular weight of 276.16 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate is sourced from PubChem (CID 782393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).