ethyl 2-(2-amino-3,5-dichlorophenyl)propanoate

C11H13Cl2NO2 — CID 106987677

IUPACethyl 2-(2-amino-3,5-dichlorophenyl)propanoate
SMILESCCOC(=O)C(C)c1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C11H13Cl2NO2/c1-3-16-11(15)6(2)8-4-7(12)5-9(13)10(8)14/h4-6H,3,14H2,1-2H3
InChIKeyFTFDHRNTGWZJEI-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.24
Rot. Bonds3

About ethyl 2-(2-amino-3,5-dichlorophenyl)propanoate

ethyl 2-(2-amino-3,5-dichlorophenyl)propanoate (PubChem CID 106987677) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is ethyl 2-(2-amino-3,5-dichlorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-amino-3,5-dichlorophenyl)propanoate
PubChem CID106987677
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Nameethyl 2-(2-amino-3,5-dichlorophenyl)propanoate
SMILESCCOC(=O)C(C)c1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C11H13Cl2NO2/c1-3-16-11(15)6(2)8-4-7(12)5-9(13)10(8)14/h4-6H,3,14H2,1-2H3
InChIKeyFTFDHRNTGWZJEI-UHFFFAOYSA-N
XLogP3.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-amino-5-chloro-2-hydroxyphenyl)propanoate
CID 70541390
ethyl 2-amino-3,5-dichlorobenzoate
CID 15087809
2,4-dichloro-6-propan-2-ylaniline
CID 20689392
ethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117358770
ethyl 4-amino-3-chloro-5-(1-methylsulfanylethyl)benzoate
CID 134996646
ethyl 2-(3-bromo-5-chlorophenyl)propanoate
CID 57458807
(1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol
CID 130713041
ethyl 2-(2,5-dichlorophenyl)-3-methylbutanoate
CID 55195804
2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid
CID 83899428
ethyl (3S)-3-amino-3-(2,3,5-trichlorophenyl)propanoate;hydrochloride
CID 171233538
ethyl 2,4,6-trichlorobenzoate
CID 91733956
ethyl 2-(3-chloro-2-methoxyphenyl)propanoate
CID 70047747

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-3,5-dichlorophenyl)propanoate?
The IUPAC name of ethyl 2-(2-amino-3,5-dichlorophenyl)propanoate (CID 106987677) is ethyl 2-(2-amino-3,5-dichlorophenyl)propanoate.
What is the SMILES notation for ethyl 2-(2-amino-3,5-dichlorophenyl)propanoate?
The canonical SMILES for ethyl 2-(2-amino-3,5-dichlorophenyl)propanoate is CCOC(=O)C(C)c1cc(Cl)cc(Cl)c1N.
What is the InChIKey of ethyl 2-(2-amino-3,5-dichlorophenyl)propanoate?
The InChIKey is FTFDHRNTGWZJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-3-16-11(15)6(2)8-4-7(12)5-9(13)10(8)14/h4-6H,3,14H2,1-2H3.
What are the key properties of ethyl 2-(2-amino-3,5-dichlorophenyl)propanoate?
ethyl 2-(2-amino-3,5-dichlorophenyl)propanoate has a molecular weight of 262.14 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-3,5-dichlorophenyl)propanoate is sourced from PubChem (CID 106987677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).