ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate

C11H14ClNO2 — CID 171021330

IUPACethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate
SMILESCCOC(=O)Cc1c(C)cc(N)cc1Cl
InChIInChI=1S/C11H14ClNO2/c1-3-15-11(14)6-9-7(2)4-8(13)5-10(9)12/h4-5H,3,6,13H2,1-2H3
InChIKeyAADIACABKIDHJZ-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.34
Rot. Bonds3

About ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate

ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate (PubChem CID 171021330) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate
PubChem CID171021330
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Nameethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate
SMILESCCOC(=O)Cc1c(C)cc(N)cc1Cl
InChIInChI=1S/C11H14ClNO2/c1-3-15-11(14)6-9-7(2)4-8(13)5-10(9)12/h4-5H,3,6,13H2,1-2H3
InChIKeyAADIACABKIDHJZ-UHFFFAOYSA-N
XLogP2.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.34
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-(4-amino-2-bromo-6-methylphenyl)acetate
CID 171020589
(2-ethoxy-2-oxoethyl) 2-(2-chloro-4,6-dimethylphenyl)acetate
CID 23510829
ethyl 2-(2-chloro-6-methyl-4-nitrophenyl)acetate
CID 171028477
ethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate
CID 82551011
ethyl 2-(2,6-dichloro-4-formylphenyl)acetate
CID 171006294
ethyl 2-[2-(bromomethyl)-4-chloro-6-methylphenyl]acetate
CID 171013601
ethyl 2-(2,3,5,6-tetramethylphenyl)acetate
CID 82552065
ethyl 2-(3-amino-2-chloro-6-methylphenyl)acetate
CID 171021815
ethyl 2-(3-amino-6-chloro-2-methylphenyl)acetate
CID 171022151
ethyl 2-(2,4,6-trihydroxyphenyl)acetate
CID 96710196
ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
CID 171033814
ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate
CID 171017066

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate?
The IUPAC name of ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate (CID 171021330) is ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate?
The canonical SMILES for ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate is CCOC(=O)Cc1c(C)cc(N)cc1Cl.
What is the InChIKey of ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate?
The InChIKey is AADIACABKIDHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-3-15-11(14)6-9-7(2)4-8(13)5-10(9)12/h4-5H,3,6,13H2,1-2H3.
What are the key properties of ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate?
ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate has a molecular weight of 227.69 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate is sourced from PubChem (CID 171021330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).