ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate

C12H15Cl2NO2 — CID 28578934

IUPACethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate
SMILESCCOC(=O)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-2-17-12(16)8-15-6-5-9-3-4-10(13)7-11(9)14/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyYNAGAZFPEKXXGO-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.69
Rot. Bonds6

About ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate

ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate (PubChem CID 28578934) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate
PubChem CID28578934
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Nameethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate
SMILESCCOC(=O)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-2-17-12(16)8-15-6-5-9-3-4-10(13)7-11(9)14/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyYNAGAZFPEKXXGO-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-(5-chloro-2-fluorophenyl)ethylamino]acetate
CID 115257506
ethyl 2-[(2,4-dichlorophenyl)methylamino]acetate
CID 60680818
2-[2-(2,4-dichlorophenyl)ethylamino]-N-ethylacetamide
CID 28578887
ethyl 2-[(2,5-dichlorophenyl)methylamino]acetate
CID 65315908
N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
CID 60672273
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)acetamide
CID 109006897
ethyl 2-[2-(2-methylphenyl)ethylamino]acetate
CID 67794588
ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate
CID 121221786
3-[2-(2,4-dichlorophenyl)ethylamino]-2,2-dimethylpropanoic acid
CID 79629031
ethyl 2-[(2,4-dichlorophenyl)methylsulfanyl]acetate
CID 5128433
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 109006915
1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885487

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate?
The IUPAC name of ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate (CID 28578934) is ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate?
The canonical SMILES for ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate is CCOC(=O)CNCCc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate?
The InChIKey is YNAGAZFPEKXXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-2-17-12(16)8-15-6-5-9-3-4-10(13)7-11(9)14/h3-4,7,15H,2,5-6,8H2,1H3.
What are the key properties of ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate?
ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate has a molecular weight of 276.16 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate is sourced from PubChem (CID 28578934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).