methyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate

C13H17Cl2NO2 — CID 60780834

IUPACmethyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate
SMILESCCC(NC(C)C(=O)OC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-4-12(16-8(2)13(17)18-3)10-6-5-9(14)7-11(10)15/h5-8,12,16H,4H2,1-3H3
InChIKeyGOZDJNCPQMMGMW-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.60
Rot. Bonds5

About methyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate

methyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate (PubChem CID 60780834) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is methyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate
PubChem CID60780834
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Namemethyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate
SMILESCCC(NC(C)C(=O)OC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-4-12(16-8(2)13(17)18-3)10-6-5-9(14)7-11(10)15/h5-8,12,16H,4H2,1-3H3
InChIKeyGOZDJNCPQMMGMW-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

3-[1-(2,4-dichlorophenyl)propylamino]butanamide
CID 113342534
2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol
CID 43503458
2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol
CID 65315602
N-[1-(2,4-dichlorophenyl)propyl]-4-methylpentan-2-amine
CID 43503451
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
CID 81374924
N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine
CID 113450027
N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide
CID 112827917
methyl 2-[1-(2,3,4-trichlorophenyl)ethylamino]propanoate
CID 60781951
methyl 2-[1-(2-chloro-4-fluorophenyl)ethylamino]propanoate
CID 60781995
tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate
CID 107247740
2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide
CID 43112445
methyl 2-bromo-3-[1-(2,4-dichlorophenyl)ethylamino]propanoate
CID 103233959

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate?
The IUPAC name of methyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate (CID 60780834) is methyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate.
What is the SMILES notation for methyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate?
The canonical SMILES for methyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate is CCC(NC(C)C(=O)OC)c1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate?
The InChIKey is GOZDJNCPQMMGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-4-12(16-8(2)13(17)18-3)10-6-5-9(14)7-11(10)15/h5-8,12,16H,4H2,1-3H3.
What are the key properties of methyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate?
methyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate has a molecular weight of 290.19 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate is sourced from PubChem (CID 60780834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).