4-[4-(aminomethyl)phenoxy]-2,6-diiodophenol

C13H11I2NO2 — CID 155040115

IUPAC4-[4-(aminomethyl)phenoxy]-2,6-diiodophenol
SMILESNCc1ccc(Oc2cc(I)c(O)c(I)c2)cc1
InChIInChI=1S/C13H11I2NO2/c14-11-5-10(6-12(15)13(11)17)18-9-3-1-8(7-16)2-4-9/h1-6,17H,7,16H2
InChIKeyUENQVIFAQJOUPM-UHFFFAOYSA-N
MW467.04 g/mol
LogP3.85
Rot. Bonds3

About 4-[4-(aminomethyl)phenoxy]-2,6-diiodophenol

4-[4-(aminomethyl)phenoxy]-2,6-diiodophenol (PubChem CID 155040115) has the molecular formula C13H11I2NO2 and a molecular weight of 467.04 g/mol. Its IUPAC name is 4-[4-(aminomethyl)phenoxy]-2,6-diiodophenol.

Molecular Properties

Compound Name4-[4-(aminomethyl)phenoxy]-2,6-diiodophenol
PubChem CID155040115
Molecular FormulaC13H11I2NO2
Molecular Weight467.04 g/mol
Exact Mass466.89
IUPAC Name4-[4-(aminomethyl)phenoxy]-2,6-diiodophenol
SMILESNCc1ccc(Oc2cc(I)c(O)c(I)c2)cc1
InChIInChI=1S/C13H11I2NO2/c14-11-5-10(6-12(15)13(11)17)18-9-3-1-8(7-16)2-4-9/h1-6,17H,7,16H2
InChIKeyUENQVIFAQJOUPM-UHFFFAOYSA-N
XLogP3.85
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.04
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[4-(aminomethyl)phenoxy]-2,6-diiodophenol 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

4-[4-(2-aminoethyl)phenoxy]-2,6-diiodophenol;hydrochloride
CID 11497243
(2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)phenyl]propanoic acid
CID 67894139
[3-[4-(4-hydroxy-3,5-diiodophenoxy)phenyl]-1-methoxy-1-oxopropan-2-yl]azanium;methane
CID 158109254
2-azaniumyl-3-[4-(4-hydroxy-3,5-diiodophenoxy)phenyl]propanoate
CID 58185738
[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine
CID 20993580
4-[4-(2-aminoethyl)-2,6-diiodophenoxy]-2,6-diiodophenol
CID 3080596
[4-(4-fluorophenoxy)phenyl]methanamine;hydrochloride
CID 10308088
[4-(4-propoxyphenoxy)phenyl]methanamine
CID 28971093
ethyl 4-[4-(aminomethyl)phenoxy]benzoate
CID 66585359
methyl 4-[4-(aminomethyl)phenoxy]benzoate;hydrochloride
CID 155817718
[4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 43806811
[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine
CID 81342015

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)phenoxy]-2,6-diiodophenol?
The IUPAC name of 4-[4-(aminomethyl)phenoxy]-2,6-diiodophenol (CID 155040115) is 4-[4-(aminomethyl)phenoxy]-2,6-diiodophenol.
What is the SMILES notation for 4-[4-(aminomethyl)phenoxy]-2,6-diiodophenol?
The canonical SMILES for 4-[4-(aminomethyl)phenoxy]-2,6-diiodophenol is NCc1ccc(Oc2cc(I)c(O)c(I)c2)cc1.
What is the InChIKey of 4-[4-(aminomethyl)phenoxy]-2,6-diiodophenol?
The InChIKey is UENQVIFAQJOUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11I2NO2/c14-11-5-10(6-12(15)13(11)17)18-9-3-1-8(7-16)2-4-9/h1-6,17H,7,16H2.
What are the key properties of 4-[4-(aminomethyl)phenoxy]-2,6-diiodophenol?
4-[4-(aminomethyl)phenoxy]-2,6-diiodophenol has a molecular weight of 467.04 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)phenoxy]-2,6-diiodophenol is sourced from PubChem (CID 155040115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).