ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate

C14H19Cl2NO3 — CID 62012022

IUPACethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate
SMILESCCOC(=O)CCN(C)CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO3/c1-3-19-14(18)6-7-17(2)8-9-20-13-5-4-11(15)10-12(13)16/h4-5,10H,3,6-9H2,1-2H3
InChIKeyRFCOCJQVUVYPDW-UHFFFAOYSA-N
MW320.22 g/mol
LogP3.26
Rot. Bonds8

About ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate

ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate (PubChem CID 62012022) has the molecular formula C14H19Cl2NO3 and a molecular weight of 320.22 g/mol. Its IUPAC name is ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate
PubChem CID62012022
Molecular FormulaC14H19Cl2NO3
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC Nameethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate
SMILESCCOC(=O)CCN(C)CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO3/c1-3-19-14(18)6-7-17(2)8-9-20-13-5-4-11(15)10-12(13)16/h4-5,10H,3,6-9H2,1-2H3
InChIKeyRFCOCJQVUVYPDW-UHFFFAOYSA-N
XLogP3.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine
CID 62688620
ethyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43365233
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
ethyl 4-(2-bromo-4-chlorophenoxy)butanoate
CID 91657428
ethyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 25286
ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 47437686
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate
CID 112843696
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetate
CID 55726013
ethyl 3-[benzyl-[4-(2,4-dichlorophenoxy)butanoylcarbamothioyl]amino]propanoate
CID 43910799
4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide
CID 162432622
ethyl 4-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 108568978

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate?
The IUPAC name of ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate (CID 62012022) is ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate?
The canonical SMILES for ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate is CCOC(=O)CCN(C)CCOc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate?
The InChIKey is RFCOCJQVUVYPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3/c1-3-19-14(18)6-7-17(2)8-9-20-13-5-4-11(15)10-12(13)16/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate?
ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate has a molecular weight of 320.22 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate is sourced from PubChem (CID 62012022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).