ethyl 2-(4-amino-2-bromophenyl)acetate

C10H12BrNO2 — CID 170997064

IUPACethyl 2-(4-amino-2-bromophenyl)acetate
SMILESCCOC(=O)Cc1ccc(N)cc1Br
InChIInChI=1S/C10H12BrNO2/c1-2-14-10(13)5-7-3-4-8(12)6-9(7)11/h3-4,6H,2,5,12H2,1H3
InChIKeyAGEQYMVQJLBSHC-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.14
Rot. Bonds3

About ethyl 2-(4-amino-2-bromophenyl)acetate

ethyl 2-(4-amino-2-bromophenyl)acetate (PubChem CID 170997064) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is ethyl 2-(4-amino-2-bromophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-2-bromophenyl)acetate
PubChem CID170997064
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Nameethyl 2-(4-amino-2-bromophenyl)acetate
SMILESCCOC(=O)Cc1ccc(N)cc1Br
InChIInChI=1S/C10H12BrNO2/c1-2-14-10(13)5-7-3-4-8(12)6-9(7)11/h3-4,6H,2,5,12H2,1H3
InChIKeyAGEQYMVQJLBSHC-UHFFFAOYSA-N
XLogP2.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.14
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-(2-bromo-4-iodophenyl)acetate
CID 131871493
ethyl 2-(4-acetyl-2-bromophenyl)acetate
CID 121231889
ethyl 2-(5-amino-3-bromo-2-fluorophenyl)acetate
CID 171020094
ethyl 2-(5-amino-2-iodophenyl)acetate
CID 134638544
ethyl 2-(3-bromo-4-ethylphenyl)acetate
CID 82643388
ethyl 2-[2-bromo-4-(3-bromopropanoyl)phenyl]acetate
CID 134631936
ethyl 2-(4-amino-2-bromo-6-methylphenyl)acetate
CID 171020589
ethyl 2-(2-amino-5-bromophenyl)acetate
CID 170997063
ethyl 4-[(4-amino-2-bromophenyl)methyl]piperazine-1-carboxylate
CID 107876825
ethyl 2-(4,6-dibromo-3-pyridinyl)acetate
CID 133097252
ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate
CID 171033782
ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate
CID 121227988

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-2-bromophenyl)acetate?
The IUPAC name of ethyl 2-(4-amino-2-bromophenyl)acetate (CID 170997064) is ethyl 2-(4-amino-2-bromophenyl)acetate.
What is the SMILES notation for ethyl 2-(4-amino-2-bromophenyl)acetate?
The canonical SMILES for ethyl 2-(4-amino-2-bromophenyl)acetate is CCOC(=O)Cc1ccc(N)cc1Br.
What is the InChIKey of ethyl 2-(4-amino-2-bromophenyl)acetate?
The InChIKey is AGEQYMVQJLBSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-2-14-10(13)5-7-3-4-8(12)6-9(7)11/h3-4,6H,2,5,12H2,1H3.
What are the key properties of ethyl 2-(4-amino-2-bromophenyl)acetate?
ethyl 2-(4-amino-2-bromophenyl)acetate has a molecular weight of 258.11 g/mol, XLogP of 2.14, 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-bromophenyl)acetate is sourced from PubChem (CID 170997064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).