ethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate

C11H14BrNO2 — CID 105401879

IUPACethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate
SMILESCCOC(=O)C(N)c1ccc(C)c(Br)c1
InChIInChI=1S/C11H14BrNO2/c1-3-15-11(14)10(13)8-5-4-7(2)9(12)6-8/h4-6,10H,3,13H2,1-2H3
InChIKeyPNRCRNAOKXGVKP-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.32
Rot. Bonds3

About ethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate

ethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate (PubChem CID 105401879) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is ethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate
PubChem CID105401879
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Nameethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate
SMILESCCOC(=O)C(N)c1ccc(C)c(Br)c1
InChIInChI=1S/C11H14BrNO2/c1-3-15-11(14)10(13)8-5-4-7(2)9(12)6-8/h4-6,10H,3,13H2,1-2H3
InChIKeyPNRCRNAOKXGVKP-UHFFFAOYSA-N
XLogP2.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate
CID 83229955
ethyl 2-amino-3-(3-bromo-4-methylphenyl)-3-hydroxypropanoate
CID 105405910
ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate
CID 116947153
ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate
CID 93034516
ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254
ethyl (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 31882253
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-amino-2-(4-propylphenyl)acetate
CID 116947143
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
methyl (3S)-3-amino-3-(3-bromo-4-methylphenyl)propanoate
CID 103694355
ethyl 3-(3-bromo-4-methylphenyl)-3-(diethylamino)propanoate
CID 105403472
ethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate
CID 3961928

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate?
The IUPAC name of ethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate (CID 105401879) is ethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate?
The canonical SMILES for ethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate is CCOC(=O)C(N)c1ccc(C)c(Br)c1.
What is the InChIKey of ethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate?
The InChIKey is PNRCRNAOKXGVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-3-15-11(14)10(13)8-5-4-7(2)9(12)6-8/h4-6,10H,3,13H2,1-2H3.
What are the key properties of ethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate?
ethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate has a molecular weight of 272.14 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate is sourced from PubChem (CID 105401879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).