ethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate

C13H17Cl2NO2 — CID 103914729

IUPACethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate
SMILESCCOC(=O)CCNC(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-3-18-12(17)7-8-16-9(2)10-5-4-6-11(14)13(10)15/h4-6,9,16H,3,7-8H2,1-2H3
InChIKeyKUDNGMOCVUDKHG-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.60
Rot. Bonds6

About ethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate

ethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate (PubChem CID 103914729) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is ethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate
PubChem CID103914729
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Nameethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate
SMILESCCOC(=O)CCNC(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-3-18-12(17)7-8-16-9(2)10-5-4-6-11(14)13(10)15/h4-6,9,16H,3,7-8H2,1-2H3
InChIKeyKUDNGMOCVUDKHG-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propanoate
CID 81378408
3-[1-(2,3-dichlorophenyl)ethylamino]-N,N-dimethylpropanamide
CID 103780154
3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide
CID 103778315
ethyl 3-[1-(2,4-dichlorophenyl)ethylamino]propanoate
CID 43242641
ethyl 3-[1-(3,4-dichlorophenyl)ethylamino]propanoate
CID 60647930
N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine
CID 129414495
ethyl 3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propanoate
CID 81352239
ethyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401378
ethyl 3-(2,3-dichlorophenyl)-3-(diethylamino)propanoate
CID 64542042
N-[1-(2,3-dichlorophenyl)ethyl]-4-methylpentan-1-amine
CID 114079561
ethyl 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]propanoate
CID 81348224
ethyl 3-[1-(2-bromo-4-fluorophenyl)ethylamino]propanoate
CID 114068380

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate?
The IUPAC name of ethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate (CID 103914729) is ethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate.
What is the SMILES notation for ethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate?
The canonical SMILES for ethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate is CCOC(=O)CCNC(C)c1cccc(Cl)c1Cl.
What is the InChIKey of ethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate?
The InChIKey is KUDNGMOCVUDKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-3-18-12(17)7-8-16-9(2)10-5-4-6-11(14)13(10)15/h4-6,9,16H,3,7-8H2,1-2H3.
What are the key properties of ethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate?
ethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate has a molecular weight of 290.19 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate is sourced from PubChem (CID 103914729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).