2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline

C13H10BrFINO2 — CID 104706508

IUPAC2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline
SMILESCOc1ccc(Oc2cc(F)c(I)cc2N)c(Br)c1
InChIInChI=1S/C13H10BrFINO2/c1-18-7-2-3-12(8(14)4-7)19-13-5-9(15)10(16)6-11(13)17/h2-6H,17H2,1H3
InChIKeyXLPMLQRAAFUJHE-UHFFFAOYSA-N
MW438.03 g/mol
LogP4.58
Rot. Bonds3

About 2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline

2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline (PubChem CID 104706508) has the molecular formula C13H10BrFINO2 and a molecular weight of 438.03 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline
PubChem CID104706508
Molecular FormulaC13H10BrFINO2
Molecular Weight438.03 g/mol
Exact Mass436.89
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline
SMILESCOc1ccc(Oc2cc(F)c(I)cc2N)c(Br)c1
InChIInChI=1S/C13H10BrFINO2/c1-18-7-2-3-12(8(14)4-7)19-13-5-9(15)10(16)6-11(13)17/h2-6H,17H2,1H3
InChIKeyXLPMLQRAAFUJHE-UHFFFAOYSA-N
XLogP4.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.03
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline 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

2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline
CID 66100344
2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline
CID 104706561
4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline
CID 113443529
2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline
CID 113443527
4-(2-bromo-4-methoxyphenoxy)-6-(trifluoromethyl)pyridin-3-amine
CID 106748562
5-fluoro-4-iodo-2-methoxyaniline
CID 131593338
4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline
CID 116736386
4-(2-amino-4-methoxyphenoxy)-3-bromobenzonitrile
CID 82809083
3-amino-4-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104708160
4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline
CID 66100157
4-fluoro-5-iodo-2-(3-methylphenoxy)aniline
CID 66100148
5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
CID 66110764

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline (CID 104706508) is 2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline is COc1ccc(Oc2cc(F)c(I)cc2N)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline?
The InChIKey is XLPMLQRAAFUJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFINO2/c1-18-7-2-3-12(8(14)4-7)19-13-5-9(15)10(16)6-11(13)17/h2-6H,17H2,1H3.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline?
2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline has a molecular weight of 438.03 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline is sourced from PubChem (CID 104706508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).