ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate;hydrochloride

C13H16Cl3NO2 — CID 86775521

IUPACethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate;hydrochloride
SMILESCCOC(=O)C(NC1CC1)c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C13H15Cl2NO2.ClH/c1-2-18-13(17)12(16-9-4-5-9)10-6-3-8(14)7-11(10)15;/h3,6-7,9,12,16H,2,4-5H2,1H3;1H
InChIKeyMEKOTMLSZDVCNF-UHFFFAOYSA-N
MW324.64 g/mol
LogP3.77
Rot. Bonds5

About ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate;hydrochloride

ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate;hydrochloride (PubChem CID 86775521) has the molecular formula C13H16Cl3NO2 and a molecular weight of 324.64 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate;hydrochloride
PubChem CID86775521
Molecular FormulaC13H16Cl3NO2
Molecular Weight324.64 g/mol
Exact Mass323.02
IUPAC Nameethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate;hydrochloride
SMILESCCOC(=O)C(NC1CC1)c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C13H15Cl2NO2.ClH/c1-2-18-13(17)12(16-9-4-5-9)10-6-3-8(14)7-11(10)15;/h3,6-7,9,12,16H,2,4-5H2,1H3;1H
InChIKeyMEKOTMLSZDVCNF-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.64
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate;hydrochloride?
The IUPAC name of ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate;hydrochloride (CID 86775521) is ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate;hydrochloride?
The canonical SMILES for ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate;hydrochloride is CCOC(=O)C(NC1CC1)c1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate;hydrochloride?
The InChIKey is MEKOTMLSZDVCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2.ClH/c1-2-18-13(17)12(16-9-4-5-9)10-6-3-8(14)7-11(10)15;/h3,6-7,9,12,16H,2,4-5H2,1H3;1H.
What are the key properties of ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate;hydrochloride?
ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate;hydrochloride has a molecular weight of 324.64 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate;hydrochloride is sourced from PubChem (CID 86775521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).