methyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate

C13H17Cl2NO2 — CID 82351330

IUPACmethyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate
SMILESCCNC(CC(=O)OC)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-3-16-11(8-13(17)18-2)6-9-4-5-10(14)7-12(9)15/h4-5,7,11,16H,3,6,8H2,1-2H3
InChIKeyCVWSIOYHZOSQIU-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.08
Rot. Bonds6

About methyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate

methyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate (PubChem CID 82351330) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is methyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate
PubChem CID82351330
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Namemethyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate
SMILESCCNC(CC(=O)OC)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-3-16-11(8-13(17)18-2)6-9-4-5-10(14)7-12(9)15/h4-5,7,11,16H,3,6,8H2,1-2H3
InChIKeyCVWSIOYHZOSQIU-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate 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

1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132131
1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine
CID 105132456
1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 63413199
1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 60819236
1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 55228646
methyl 2-[(2,4-dichlorophenyl)methyl]-3-oxobutanoate
CID 138755721
methyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate
CID 82351429
(2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid
CID 99924303
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine
CID 114855390
3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495499
1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642799
4-[1-(2,4-dichlorophenyl)butan-2-ylamino]-2,2-dimethylbutanoic acid
CID 122127278

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate?
The IUPAC name of methyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate (CID 82351330) is methyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate.
What is the SMILES notation for methyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate?
The canonical SMILES for methyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate is CCNC(CC(=O)OC)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate?
The InChIKey is CVWSIOYHZOSQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-3-16-11(8-13(17)18-2)6-9-4-5-10(14)7-12(9)15/h4-5,7,11,16H,3,6,8H2,1-2H3.
What are the key properties of methyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate?
methyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate has a molecular weight of 290.19 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate is sourced from PubChem (CID 82351330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).