4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline

C13H11BrINO2 — CID 113443529

IUPAC4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline
SMILESCOc1ccc(Oc2ccc(N)cc2I)c(Br)c1
InChIInChI=1S/C13H11BrINO2/c1-17-9-3-5-12(10(14)7-9)18-13-4-2-8(16)6-11(13)15/h2-7H,16H2,1H3
InChIKeyXERISHPVKUIDFV-UHFFFAOYSA-N
MW420.04 g/mol
LogP4.44
Rot. Bonds3

About 4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline

4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline (PubChem CID 113443529) has the molecular formula C13H11BrINO2 and a molecular weight of 420.04 g/mol. Its IUPAC name is 4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline.

Molecular Properties

Compound Name4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline
PubChem CID113443529
Molecular FormulaC13H11BrINO2
Molecular Weight420.04 g/mol
Exact Mass418.90
IUPAC Name4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline
SMILESCOc1ccc(Oc2ccc(N)cc2I)c(Br)c1
InChIInChI=1S/C13H11BrINO2/c1-17-9-3-5-12(10(14)7-9)18-13-4-2-8(16)6-11(13)15/h2-7H,16H2,1H3
InChIKeyXERISHPVKUIDFV-UHFFFAOYSA-N
XLogP4.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.04
LogP ≤ 54.44
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'}

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Related Compounds

2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline
CID 104706508
2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline
CID 104706561
6-(2-bromo-4-methoxyphenoxy)pyridin-3-amine
CID 104706426
4-(6-bromonaphthalen-2-yl)oxy-3-iodoaniline
CID 66093379
2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline
CID 113443527
4-(4-fluorophenoxy)-3-iodoaniline
CID 66092753
(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
CID 104707913
4-(2,4-dimethylphenoxy)-3-iodoaniline
CID 66094612
3-bromo-4-(5-bromo-2-methylphenoxy)aniline
CID 107283299
4-(2-amino-4-methoxyphenoxy)-3-bromobenzonitrile
CID 82809083
3-amino-4-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104708160
[2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine
CID 114880011

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline?
The IUPAC name of 4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline (CID 113443529) is 4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline.
What is the SMILES notation for 4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline?
The canonical SMILES for 4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline is COc1ccc(Oc2ccc(N)cc2I)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline?
The InChIKey is XERISHPVKUIDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrINO2/c1-17-9-3-5-12(10(14)7-9)18-13-4-2-8(16)6-11(13)15/h2-7H,16H2,1H3.
What are the key properties of 4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline?
4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline has a molecular weight of 420.04 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline is sourced from PubChem (CID 113443529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).