2-chloro-6-(2-iodophenoxy)aniline

C12H9ClINO — CID 104835012

IUPAC2-chloro-6-(2-iodophenoxy)aniline
SMILESNc1c(Cl)cccc1Oc1ccccc1I
InChIInChI=1S/C12H9ClINO/c13-8-4-3-7-11(12(8)15)16-10-6-2-1-5-9(10)14/h1-7H,15H2
InChIKeyMEXREGOSRNQJON-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.32
Rot. Bonds2

About 2-chloro-6-(2-iodophenoxy)aniline

2-chloro-6-(2-iodophenoxy)aniline (PubChem CID 104835012) has the molecular formula C12H9ClINO and a molecular weight of 345.57 g/mol. Its IUPAC name is 2-chloro-6-(2-iodophenoxy)aniline.

Molecular Properties

Compound Name2-chloro-6-(2-iodophenoxy)aniline
PubChem CID104835012
Molecular FormulaC12H9ClINO
Molecular Weight345.57 g/mol
Exact Mass344.94
IUPAC Name2-chloro-6-(2-iodophenoxy)aniline
SMILESNc1c(Cl)cccc1Oc1ccccc1I
InChIInChI=1S/C12H9ClINO/c13-8-4-3-7-11(12(8)15)16-10-6-2-1-5-9(10)14/h1-7H,15H2
InChIKeyMEXREGOSRNQJON-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(2-iodophenoxy)aniline 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

3-chloro-2-(2-iodophenoxy)aniline
CID 43479593
2-(2-amino-3-chlorophenoxy)benzonitrile
CID 104834949
2-chloro-6-(2,5-dichlorophenoxy)aniline
CID 113458716
4-chloro-2-(2-iodophenoxy)aniline
CID 115469275
5-chloro-4-fluoro-2-(2-iodophenoxy)aniline
CID 66078879
1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine
CID 43479857
2-(2-chlorophenoxy)-6-fluoroaniline
CID 60790440
2-chloro-6-(2-chloro-4-methylphenoxy)aniline
CID 113458741
2-chloro-6-(2,3,5-trimethylphenoxy)aniline
CID 113458731
2-amino-3-(2-chlorophenoxy)benzonitrile
CID 104717133
3-chloro-1-N-(2-iodophenyl)benzene-1,2-diamine
CID 104834035
1-chloro-3-(2-iodophenoxy)benzene
CID 138106392

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-iodophenoxy)aniline?
The IUPAC name of 2-chloro-6-(2-iodophenoxy)aniline (CID 104835012) is 2-chloro-6-(2-iodophenoxy)aniline.
What is the SMILES notation for 2-chloro-6-(2-iodophenoxy)aniline?
The canonical SMILES for 2-chloro-6-(2-iodophenoxy)aniline is Nc1c(Cl)cccc1Oc1ccccc1I.
What is the InChIKey of 2-chloro-6-(2-iodophenoxy)aniline?
The InChIKey is MEXREGOSRNQJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClINO/c13-8-4-3-7-11(12(8)15)16-10-6-2-1-5-9(10)14/h1-7H,15H2.
What are the key properties of 2-chloro-6-(2-iodophenoxy)aniline?
2-chloro-6-(2-iodophenoxy)aniline has a molecular weight of 345.57 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-iodophenoxy)aniline is sourced from PubChem (CID 104835012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).