methyl 3-[(2,3-dichlorophenyl)methyl-ethylamino]propanoate

C13H17Cl2NO2 — CID 113228358

IUPACmethyl 3-[(2,3-dichlorophenyl)methyl-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-3-16(8-7-12(17)18-2)9-10-5-4-6-11(14)13(10)15/h4-6H,3,7-9H2,1-2H3
InChIKeySOYHCLPODWYZSR-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.38
Rot. Bonds6

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

methyl 3-[(2,3-dichlorophenyl)methyl-ethylamino]propanoate (PubChem CID 113228358) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is methyl 3-[(2,3-dichlorophenyl)methyl-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2,3-dichlorophenyl)methyl-ethylamino]propanoate
PubChem CID113228358
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Namemethyl 3-[(2,3-dichlorophenyl)methyl-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-3-16(8-7-12(17)18-2)9-10-5-4-6-11(14)13(10)15/h4-6H,3,7-9H2,1-2H3
InChIKeySOYHCLPODWYZSR-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-[(2,3-dichlorophenyl)methyl-ethylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate
CID 103821518
methyl 3-[(3-cyano-2-fluorophenyl)methyl-ethylamino]propanoate
CID 103912107
methyl 2-[(2-chloro-3-fluorophenyl)methyl-ethylamino]acetate
CID 112550265
methyl 3-[(5-chloropyrazin-2-yl)methyl-ethylamino]propanoate
CID 103055309
methyl 3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanoate
CID 62111485
methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate
CID 110008646
methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 103885183
methyl 3-[(2-aminophenyl)methyl-propylamino]propanoate
CID 63949117
methyl 3-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-ethylamino]propanoate
CID 61011044
methyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate
CID 62027371
methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate
CID 78918049
methyl 3-[ethyl(3-phenylprop-2-enyl)amino]propanoate
CID 76931444

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,3-dichlorophenyl)methyl-ethylamino]propanoate?
The IUPAC name of methyl 3-[(2,3-dichlorophenyl)methyl-ethylamino]propanoate (CID 113228358) is methyl 3-[(2,3-dichlorophenyl)methyl-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[(2,3-dichlorophenyl)methyl-ethylamino]propanoate?
The canonical SMILES for methyl 3-[(2,3-dichlorophenyl)methyl-ethylamino]propanoate is CCN(CCC(=O)OC)Cc1cccc(Cl)c1Cl.
What is the InChIKey of methyl 3-[(2,3-dichlorophenyl)methyl-ethylamino]propanoate?
The InChIKey is SOYHCLPODWYZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-3-16(8-7-12(17)18-2)9-10-5-4-6-11(14)13(10)15/h4-6H,3,7-9H2,1-2H3.
What are the key properties of methyl 3-[(2,3-dichlorophenyl)methyl-ethylamino]propanoate?
methyl 3-[(2,3-dichlorophenyl)methyl-ethylamino]propanoate has a molecular weight of 290.19 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,3-dichlorophenyl)methyl-ethylamino]propanoate is sourced from PubChem (CID 113228358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).