ethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate

C16H16BrNO3 — CID 106955208

IUPACethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(N)cc1OCc1cccc(Br)c1
InChIInChI=1S/C16H16BrNO3/c1-2-20-16(19)14-7-6-13(18)9-15(14)21-10-11-4-3-5-12(17)8-11/h3-9H,2,10,18H2,1H3
InChIKeyUHOHSGRZEGZNLF-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.79
Rot. Bonds5

About ethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate

ethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate (PubChem CID 106955208) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is ethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate
PubChem CID106955208
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Nameethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(N)cc1OCc1cccc(Br)c1
InChIInChI=1S/C16H16BrNO3/c1-2-20-16(19)14-7-6-13(18)9-15(14)21-10-11-4-3-5-12(17)8-11/h3-9H,2,10,18H2,1H3
InChIKeyUHOHSGRZEGZNLF-UHFFFAOYSA-N
XLogP3.79
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-amino-2-[(3-bromophenyl)methoxy]benzoate
CID 82831709
4-[(3-bromophenyl)methoxy]-3-methoxyaniline
CID 55036826
methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate
CID 106954943
ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
methyl 4-amino-2-[(4-methylphenyl)methoxy]benzoate
CID 106955007
ethyl 2-acetyloxy-4-aminobenzoate
CID 90384758
2-[(3-bromophenyl)methoxy]-N-methoxybenzamide
CID 33104537
ethyl 6-bromo-4-phenylmethoxypyridine-3-carboxylate
CID 59477910
(3-bromophenyl)methyl 2-amino-4-methoxybenzoate
CID 115281028
phenacyl 2-[(3-bromophenyl)methoxy]benzoate
CID 18274703
ethyl 4-amino-2-(2-thiophen-3-ylethoxy)benzoate
CID 106955324

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate?
The IUPAC name of ethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate (CID 106955208) is ethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate.
What is the SMILES notation for ethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate?
The canonical SMILES for ethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate is CCOC(=O)c1ccc(N)cc1OCc1cccc(Br)c1.
What is the InChIKey of ethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate?
The InChIKey is UHOHSGRZEGZNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-2-20-16(19)14-7-6-13(18)9-15(14)21-10-11-4-3-5-12(17)8-11/h3-9H,2,10,18H2,1H3.
What are the key properties of ethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate?
ethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate has a molecular weight of 350.21 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate is sourced from PubChem (CID 106955208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).