2-methylpropyl 2-amino-4-bromobenzoate

C11H14BrNO2 — CID 61277458

IUPAC2-methylpropyl 2-amino-4-bromobenzoate
SMILESCC(C)COC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C11H14BrNO2/c1-7(2)6-15-11(14)9-4-3-8(12)5-10(9)13/h3-5,7H,6,13H2,1-2H3
InChIKeyGUMVLZPZJPCPQY-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.84
Rot. Bonds3

About 2-methylpropyl 2-amino-4-bromobenzoate

2-methylpropyl 2-amino-4-bromobenzoate (PubChem CID 61277458) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-methylpropyl 2-amino-4-bromobenzoate.

Molecular Properties

Compound Name2-methylpropyl 2-amino-4-bromobenzoate
PubChem CID61277458
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-methylpropyl 2-amino-4-bromobenzoate
SMILESCC(C)COC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C11H14BrNO2/c1-7(2)6-15-11(14)9-4-3-8(12)5-10(9)13/h3-5,7H,6,13H2,1-2H3
InChIKeyGUMVLZPZJPCPQY-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
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

2-methoxyethyl 2-amino-4-bromobenzoate
CID 61303052
1-ethoxypropan-2-yl 2-amino-4-bromobenzoate
CID 103488997
bis(2-methylpropyl) 4,5-dibromobenzene-1,2-dicarboxylate
CID 23502142
2-O-(4-bromophenyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 6423523
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-4-bromobenzoate
CID 104562931
2-methylpropyl 2-amino-5-[[4-amino-3-(2-methylpropoxycarbonyl)phenyl]methyl]benzoate
CID 101384332
2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide
CID 79713860
2-methylpropyl 2-amino-4-bromo-3-fluorobenzoate
CID 175637728
2-amino-4-bromo-N-(5-methylhexan-2-yl)benzamide
CID 79714925
2-amino-4-bromo-N-(3-methylbutyl)benzamide
CID 79714251
tetrakis(2-methylpropyl) perylene-3,4,9,10-tetracarboxylate
CID 123503031
(3-amino-2-methyl-3-oxopropyl) 2,4-diaminobenzoate
CID 61321218

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-amino-4-bromobenzoate?
The IUPAC name of 2-methylpropyl 2-amino-4-bromobenzoate (CID 61277458) is 2-methylpropyl 2-amino-4-bromobenzoate.
What is the SMILES notation for 2-methylpropyl 2-amino-4-bromobenzoate?
The canonical SMILES for 2-methylpropyl 2-amino-4-bromobenzoate is CC(C)COC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-methylpropyl 2-amino-4-bromobenzoate?
The InChIKey is GUMVLZPZJPCPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7(2)6-15-11(14)9-4-3-8(12)5-10(9)13/h3-5,7H,6,13H2,1-2H3.
What are the key properties of 2-methylpropyl 2-amino-4-bromobenzoate?
2-methylpropyl 2-amino-4-bromobenzoate has a molecular weight of 272.14 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-amino-4-bromobenzoate is sourced from PubChem (CID 61277458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).