ethyl 2-amino-5-(4-bromophenoxy)benzoate

C15H14BrNO3 — CID 63423182

IUPACethyl 2-amino-5-(4-bromophenoxy)benzoate
SMILESCCOC(=O)c1cc(Oc2ccc(Br)cc2)ccc1N
InChIInChI=1S/C15H14BrNO3/c1-2-19-15(18)13-9-12(7-8-14(13)17)20-11-5-3-10(16)4-6-11/h3-9H,2,17H2,1H3
InChIKeyABYUIHXBICNNTG-UHFFFAOYSA-N
MW336.19 g/mol
LogP4.00
Rot. Bonds4

About ethyl 2-amino-5-(4-bromophenoxy)benzoate

ethyl 2-amino-5-(4-bromophenoxy)benzoate (PubChem CID 63423182) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is ethyl 2-amino-5-(4-bromophenoxy)benzoate.

Molecular Properties

Compound Nameethyl 2-amino-5-(4-bromophenoxy)benzoate
PubChem CID63423182
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Nameethyl 2-amino-5-(4-bromophenoxy)benzoate
SMILESCCOC(=O)c1cc(Oc2ccc(Br)cc2)ccc1N
InChIInChI=1S/C15H14BrNO3/c1-2-19-15(18)13-9-12(7-8-14(13)17)20-11-5-3-10(16)4-6-11/h3-9H,2,17H2,1H3
InChIKeyABYUIHXBICNNTG-UHFFFAOYSA-N
XLogP4.00
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-5-(4-methylphenoxy)benzoate
CID 63423730
ethyl 5-(4-bromophenoxy)-2-fluorobenzoate
CID 164893643
ethyl 2-(4-bromophenoxy)benzoate
CID 23464800
ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate
CID 63269663
ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
CID 116802601
ethyl 2-amino-5-(4-bromophenyl)-4-methylbenzoate
CID 102741992
ethyl 2-amino-5-(2-chloro-4-fluorophenoxy)benzoate
CID 63423263
ethyl 2-amino-5-(2-cyanophenoxy)benzoate
CID 61305610
ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate
CID 61306548
ethyl 2-amino-5-(3-methylbutoxy)benzoate
CID 61307572
ethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate
CID 61307433
ethyl 2-amino-5-cyclohexyloxybenzoate
CID 61312279

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(4-bromophenoxy)benzoate?
The IUPAC name of ethyl 2-amino-5-(4-bromophenoxy)benzoate (CID 63423182) is ethyl 2-amino-5-(4-bromophenoxy)benzoate.
What is the SMILES notation for ethyl 2-amino-5-(4-bromophenoxy)benzoate?
The canonical SMILES for ethyl 2-amino-5-(4-bromophenoxy)benzoate is CCOC(=O)c1cc(Oc2ccc(Br)cc2)ccc1N.
What is the InChIKey of ethyl 2-amino-5-(4-bromophenoxy)benzoate?
The InChIKey is ABYUIHXBICNNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-2-19-15(18)13-9-12(7-8-14(13)17)20-11-5-3-10(16)4-6-11/h3-9H,2,17H2,1H3.
What are the key properties of ethyl 2-amino-5-(4-bromophenoxy)benzoate?
ethyl 2-amino-5-(4-bromophenoxy)benzoate has a molecular weight of 336.19 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(4-bromophenoxy)benzoate is sourced from PubChem (CID 63423182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).