2-methoxyethyl 2-amino-4-bromobenzoate

C10H12BrNO3 — CID 61303052

IUPAC2-methoxyethyl 2-amino-4-bromobenzoate
SMILESCOCCOC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C10H12BrNO3/c1-14-4-5-15-10(13)8-3-2-7(11)6-9(8)12/h2-3,6H,4-5,12H2,1H3
InChIKeyYTCNWYMPCSDCKH-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.83
Rot. Bonds4

About 2-methoxyethyl 2-amino-4-bromobenzoate

2-methoxyethyl 2-amino-4-bromobenzoate (PubChem CID 61303052) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-methoxyethyl 2-amino-4-bromobenzoate.

Molecular Properties

Compound Name2-methoxyethyl 2-amino-4-bromobenzoate
PubChem CID61303052
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name2-methoxyethyl 2-amino-4-bromobenzoate
SMILESCOCCOC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C10H12BrNO3/c1-14-4-5-15-10(13)8-3-2-7(11)6-9(8)12/h2-3,6H,4-5,12H2,1H3
InChIKeyYTCNWYMPCSDCKH-UHFFFAOYSA-N
XLogP1.83
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-4-bromobenzoate
CID 104562931
2-methoxyethyl 4-bromo-2-sulfanylbenzoate
CID 107018497
2-methylpropyl 2-amino-4-bromobenzoate
CID 61277458
(2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 116591872
2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 79720140
2-methoxyethyl 5-amino-2,4-dimethylbenzoate
CID 104538496
2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 79722870
(3-methoxy-3-methylbutyl) 4-bromo-2-sulfanylbenzoate
CID 107019177
3-methoxypropyl 2-aminobenzoate
CID 61278385
2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 102978738
2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate
CID 113427093
bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate
CID 58473536

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-amino-4-bromobenzoate?
The IUPAC name of 2-methoxyethyl 2-amino-4-bromobenzoate (CID 61303052) is 2-methoxyethyl 2-amino-4-bromobenzoate.
What is the SMILES notation for 2-methoxyethyl 2-amino-4-bromobenzoate?
The canonical SMILES for 2-methoxyethyl 2-amino-4-bromobenzoate is COCCOC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-methoxyethyl 2-amino-4-bromobenzoate?
The InChIKey is YTCNWYMPCSDCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-14-4-5-15-10(13)8-3-2-7(11)6-9(8)12/h2-3,6H,4-5,12H2,1H3.
What are the key properties of 2-methoxyethyl 2-amino-4-bromobenzoate?
2-methoxyethyl 2-amino-4-bromobenzoate has a molecular weight of 274.11 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-amino-4-bromobenzoate is sourced from PubChem (CID 61303052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).