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

C13H15Cl2NO2 — CID 54918547

IUPACethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate
SMILESCCOC(=O)C(NC1CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO2/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
InChIKeyVKHYERDQUVKMGA-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.35
Rot. Bonds5

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

ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate (PubChem CID 54918547) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate
PubChem CID54918547
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Nameethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate
SMILESCCOC(=O)C(NC1CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO2/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
InChIKeyVKHYERDQUVKMGA-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-chloro-2-fluorophenyl)-2-(cyclohexylamino)acetate
CID 114843746
2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetic acid
CID 43754588
ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate
CID 81146015
ethyl 2-(2,4-dichlorophenyl)-2-(prop-2-ynylamino)acetate
CID 55063018
ethyl 2-(2-chloro-3,4-dimethoxyphenyl)-2-(cyclopropylamino)acetate
CID 63632576
2-(cyclohexylamino)-2-(2,4-dichlorophenyl)acetamide
CID 54894576
ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146254
ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate
CID 54893052
ethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate
CID 60998047
ethyl 2-(cyclopentylamino)-2-(3,5-dichlorophenyl)acetate
CID 60998051
methyl 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)acetate
CID 114076211
N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine
CID 43503316

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate?
The IUPAC name of ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate (CID 54918547) is ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate is CCOC(=O)C(NC1CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate?
The InChIKey is VKHYERDQUVKMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/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.
What are the key properties of ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate?
ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate has a molecular weight of 288.17 g/mol, XLogP of 3.35, 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 is sourced from PubChem (CID 54918547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).