methyl 2-(5-bromo-2-methylphenyl)-2-(methylamino)acetate

C11H14BrNO2 — CID 116857044

IUPACmethyl 2-(5-bromo-2-methylphenyl)-2-(methylamino)acetate
SMILESCNC(C(=O)OC)c1cc(Br)ccc1C
InChIInChI=1S/C11H14BrNO2/c1-7-4-5-8(12)6-9(7)10(13-2)11(14)15-3/h4-6,10,13H,1-3H3
InChIKeyOADXDUGNSCRMRV-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.19
Rot. Bonds3

About methyl 2-(5-bromo-2-methylphenyl)-2-(methylamino)acetate

methyl 2-(5-bromo-2-methylphenyl)-2-(methylamino)acetate (PubChem CID 116857044) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is methyl 2-(5-bromo-2-methylphenyl)-2-(methylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(5-bromo-2-methylphenyl)-2-(methylamino)acetate
PubChem CID116857044
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Namemethyl 2-(5-bromo-2-methylphenyl)-2-(methylamino)acetate
SMILESCNC(C(=O)OC)c1cc(Br)ccc1C
InChIInChI=1S/C11H14BrNO2/c1-7-4-5-8(12)6-9(7)10(13-2)11(14)15-3/h4-6,10,13H,1-3H3
InChIKeyOADXDUGNSCRMRV-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-acetamido-2-(5-bromo-2-methylphenyl)acetate
CID 116860631
methyl 2-amino-2-(5-bromo-2-methylphenyl)acetate
CID 116856962
(5-bromo-2-methylphenyl)-(methylideneamino)methanol;methyl 2-(5-bromo-2-methylphenyl)-2-hydroxyacetate
CID 159737409
methyl 1-[amino-(5-bromo-2-methylphenyl)methyl]cyclobutane-1-carboxylate
CID 116944322
4-amino-4-(5-bromo-2-methylphenyl)butan-2-one
CID 116940603
4-[(5-bromo-2-methylphenyl)-(methylamino)methyl]benzoic acid
CID 116953935
2-(5-bromo-2-methylphenyl)-2-chloroacetic acid
CID 83554540
methyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate
CID 54977746
methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 94376434
ethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate
CID 116961364
methyl 2-(5-bromo-2-propan-2-ylphenyl)-2-hydroxyacetate
CID 117463058
methyl 2-bromo-2-(5-bromo-2-fluorophenyl)acetate
CID 172613347

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromo-2-methylphenyl)-2-(methylamino)acetate?
The IUPAC name of methyl 2-(5-bromo-2-methylphenyl)-2-(methylamino)acetate (CID 116857044) is methyl 2-(5-bromo-2-methylphenyl)-2-(methylamino)acetate.
What is the SMILES notation for methyl 2-(5-bromo-2-methylphenyl)-2-(methylamino)acetate?
The canonical SMILES for methyl 2-(5-bromo-2-methylphenyl)-2-(methylamino)acetate is CNC(C(=O)OC)c1cc(Br)ccc1C.
What is the InChIKey of methyl 2-(5-bromo-2-methylphenyl)-2-(methylamino)acetate?
The InChIKey is OADXDUGNSCRMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7-4-5-8(12)6-9(7)10(13-2)11(14)15-3/h4-6,10,13H,1-3H3.
What are the key properties of methyl 2-(5-bromo-2-methylphenyl)-2-(methylamino)acetate?
methyl 2-(5-bromo-2-methylphenyl)-2-(methylamino)acetate has a molecular weight of 272.14 g/mol, XLogP of 2.19, 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-methylphenyl)-2-(methylamino)acetate is sourced from PubChem (CID 116857044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).