methyl 2-(4-amino-2,6-dichlorophenyl)acetate

C9H9Cl2NO2 — CID 67021638

IUPACmethyl 2-(4-amino-2,6-dichlorophenyl)acetate
SMILESCOC(=O)Cc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-14-9(13)4-6-7(10)2-5(12)3-8(6)11/h2-3H,4,12H2,1H3
InChIKeyCGTBRJDCBUVUBG-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.29
Rot. Bonds2

About methyl 2-(4-amino-2,6-dichlorophenyl)acetate

methyl 2-(4-amino-2,6-dichlorophenyl)acetate (PubChem CID 67021638) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is methyl 2-(4-amino-2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-amino-2,6-dichlorophenyl)acetate
PubChem CID67021638
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Namemethyl 2-(4-amino-2,6-dichlorophenyl)acetate
SMILESCOC(=O)Cc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-14-9(13)4-6-7(10)2-5(12)3-8(6)11/h2-3H,4,12H2,1H3
InChIKeyCGTBRJDCBUVUBG-UHFFFAOYSA-N
XLogP2.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.29
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

Methyl 2-(4-aminophenyl)acetate
CID 2761030
Methyl (4-aminophenyl)acetate--hydrogen chloride (1/1)
CID 12918864
Ethyl alpha-(3-chloro-4-aminophenyl)-propionate
CID 12854202
Methyl (2-amino-4-chloro-5-fluorophenyl)acetate
CID 10900080
Ethyl 4-amino-5-chloro-2-fluorophenylacetate
CID 17858807
Methyl 2-(4-amino-3-chloro-2-fluorophenyl)acetate
CID 17859038
Methyl 4-amino-5-chloro-2-fluorophenylacetate
CID 17859508
2-[2-Chloro-4-(fluoroamino)phenyl]propanoic acid
CID 53969461
Methyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate
CID 57179795
Ethyl (4-amino-3-chloro-2-fluorophenyl)acetate
CID 59163335
Ethyl 2-(6-amino-2-chloro-3-fluorophenyl)-2,2-difluoroacetate
CID 140207209
Ethyl 2-(2-amino-6-chlorophenyl)-2,2-difluoroacetate
CID 140207220

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-amino-2,6-dichlorophenyl)acetate?
The IUPAC name of methyl 2-(4-amino-2,6-dichlorophenyl)acetate (CID 67021638) is methyl 2-(4-amino-2,6-dichlorophenyl)acetate.
What is the SMILES notation for methyl 2-(4-amino-2,6-dichlorophenyl)acetate?
The canonical SMILES for methyl 2-(4-amino-2,6-dichlorophenyl)acetate is COC(=O)Cc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of methyl 2-(4-amino-2,6-dichlorophenyl)acetate?
The InChIKey is CGTBRJDCBUVUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-14-9(13)4-6-7(10)2-5(12)3-8(6)11/h2-3H,4,12H2,1H3.
What are the key properties of methyl 2-(4-amino-2,6-dichlorophenyl)acetate?
methyl 2-(4-amino-2,6-dichlorophenyl)acetate has a molecular weight of 234.08 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-amino-2,6-dichlorophenyl)acetate is sourced from PubChem (CID 67021638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).