ethyl 2-(4-amino-2,6-dichlorophenoxy)acetate

C10H11Cl2NO3 — CID 54217043

IUPACethyl 2-(4-amino-2,6-dichlorophenoxy)acetate
SMILESCCOC(=O)COc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C10H11Cl2NO3/c1-2-15-9(14)5-16-10-7(11)3-6(13)4-8(10)12/h3-4H,2,5,13H2,1H3
InChIKeyPZXSGFWJEVBCPW-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.52
Rot. Bonds4

About ethyl 2-(4-amino-2,6-dichlorophenoxy)acetate

ethyl 2-(4-amino-2,6-dichlorophenoxy)acetate (PubChem CID 54217043) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is ethyl 2-(4-amino-2,6-dichlorophenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-2,6-dichlorophenoxy)acetate
PubChem CID54217043
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Nameethyl 2-(4-amino-2,6-dichlorophenoxy)acetate
SMILESCCOC(=O)COc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C10H11Cl2NO3/c1-2-15-9(14)5-16-10-7(11)3-6(13)4-8(10)12/h3-4H,2,5,13H2,1H3
InChIKeyPZXSGFWJEVBCPW-UHFFFAOYSA-N
XLogP2.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(4-amino-2,6-dichlorophenoxy)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-(4-amino-2,6-dichlorophenoxy)acetate?
The IUPAC name of ethyl 2-(4-amino-2,6-dichlorophenoxy)acetate (CID 54217043) is ethyl 2-(4-amino-2,6-dichlorophenoxy)acetate.
What is the SMILES notation for ethyl 2-(4-amino-2,6-dichlorophenoxy)acetate?
The canonical SMILES for ethyl 2-(4-amino-2,6-dichlorophenoxy)acetate is CCOC(=O)COc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of ethyl 2-(4-amino-2,6-dichlorophenoxy)acetate?
The InChIKey is PZXSGFWJEVBCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c1-2-15-9(14)5-16-10-7(11)3-6(13)4-8(10)12/h3-4H,2,5,13H2,1H3.
What are the key properties of ethyl 2-(4-amino-2,6-dichlorophenoxy)acetate?
ethyl 2-(4-amino-2,6-dichlorophenoxy)acetate has a molecular weight of 264.11 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-2,6-dichlorophenoxy)acetate is sourced from PubChem (CID 54217043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).