methyl 2-(5-bromo-2-methylanilino)acetate

C10H12BrNO2 — CID 43806066

IUPACmethyl 2-(5-bromo-2-methylanilino)acetate
SMILESCOC(=O)CNc1cc(Br)ccc1C
InChIInChI=1S/C10H12BrNO2/c1-7-3-4-8(11)5-9(7)12-6-10(13)14-2/h3-5,12H,6H2,1-2H3
InChIKeyAAQAFUCWSPRQDC-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.34
Rot. Bonds3

About methyl 2-(5-bromo-2-methylanilino)acetate

methyl 2-(5-bromo-2-methylanilino)acetate (PubChem CID 43806066) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is methyl 2-(5-bromo-2-methylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(5-bromo-2-methylanilino)acetate
PubChem CID43806066
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Namemethyl 2-(5-bromo-2-methylanilino)acetate
SMILESCOC(=O)CNc1cc(Br)ccc1C
InChIInChI=1S/C10H12BrNO2/c1-7-3-4-8(11)5-9(7)12-6-10(13)14-2/h3-5,12H,6H2,1-2H3
InChIKeyAAQAFUCWSPRQDC-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(5-bromo-2-methylanilino)acetate
CID 43806067
2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide
CID 43806025
methyl 2-[4-bromo-2-(trifluoromethyl)anilino]acetate
CID 60790807
ethyl 2-(2,5-dibromoanilino)acetate
CID 61467112
2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylethanone
CID 43806024
5-bromo-N-(2-methoxyethyl)-2-methylaniline
CID 43806040
methyl 3-(5-bromo-2-methylanilino)-2-phenylpropanoate
CID 64567093
methyl 3-[(5-bromo-2-methylphenyl)sulfamoyl]propanoate
CID 61061576
methyl 2-(2,4-dimethylanilino)acetate
CID 28564487
3-(5-bromo-2-methylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643996
3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide
CID 60961459
methyl 1-[(5-bromo-2-methylanilino)methyl]cyclobutane-1-carboxylate
CID 115247224

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromo-2-methylanilino)acetate?
The IUPAC name of methyl 2-(5-bromo-2-methylanilino)acetate (CID 43806066) is methyl 2-(5-bromo-2-methylanilino)acetate.
What is the SMILES notation for methyl 2-(5-bromo-2-methylanilino)acetate?
The canonical SMILES for methyl 2-(5-bromo-2-methylanilino)acetate is COC(=O)CNc1cc(Br)ccc1C.
What is the InChIKey of methyl 2-(5-bromo-2-methylanilino)acetate?
The InChIKey is AAQAFUCWSPRQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-7-3-4-8(11)5-9(7)12-6-10(13)14-2/h3-5,12H,6H2,1-2H3.
What are the key properties of methyl 2-(5-bromo-2-methylanilino)acetate?
methyl 2-(5-bromo-2-methylanilino)acetate has a molecular weight of 258.11 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 methyl 2-(5-bromo-2-methylanilino)acetate is sourced from PubChem (CID 43806066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).