4-chloro-2-(2-iodophenoxy)aniline

C12H9ClINO — CID 115469275

IUPAC4-chloro-2-(2-iodophenoxy)aniline
SMILESNc1ccc(Cl)cc1Oc1ccccc1I
InChIInChI=1S/C12H9ClINO/c13-8-5-6-10(15)12(7-8)16-11-4-2-1-3-9(11)14/h1-7H,15H2
InChIKeySJPNCSLVFYAWAE-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.32
Rot. Bonds2

About 4-chloro-2-(2-iodophenoxy)aniline

4-chloro-2-(2-iodophenoxy)aniline (PubChem CID 115469275) has the molecular formula C12H9ClINO and a molecular weight of 345.57 g/mol. Its IUPAC name is 4-chloro-2-(2-iodophenoxy)aniline.

Molecular Properties

Compound Name4-chloro-2-(2-iodophenoxy)aniline
PubChem CID115469275
Molecular FormulaC12H9ClINO
Molecular Weight345.57 g/mol
Exact Mass344.94
IUPAC Name4-chloro-2-(2-iodophenoxy)aniline
SMILESNc1ccc(Cl)cc1Oc1ccccc1I
InChIInChI=1S/C12H9ClINO/c13-8-5-6-10(15)12(7-8)16-11-4-2-1-3-9(11)14/h1-7H,15H2
InChIKeySJPNCSLVFYAWAE-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'}

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Related Compounds

2-(2-bromophenoxy)-4-chloroaniline
CID 115469253
5-chloro-4-fluoro-2-(2-iodophenoxy)aniline
CID 66078879
2-(2-amino-5-chlorophenoxy)benzamide
CID 113315871
2-chloro-6-(2-iodophenoxy)aniline
CID 104835012
1-chloro-3-(2-iodophenoxy)benzene
CID 138106392
N-[[4-chloro-2-(2-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114856355
3-chloro-2-(2-iodophenoxy)aniline
CID 43479593
2-(5-chloro-2-iodophenoxy)benzonitrile
CID 142659292
1-fluoro-2-(2-iodophenoxy)benzene
CID 11849671
2-ethoxy-4-(2-iodophenoxy)aniline
CID 63675223
2-(2-amino-4-chlorophenoxy)phenol
CID 130156009
N-[[5-chloro-2-(2-iodophenoxy)phenyl]methyl]cyclopropanamine
CID 114856357

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-iodophenoxy)aniline?
The IUPAC name of 4-chloro-2-(2-iodophenoxy)aniline (CID 115469275) is 4-chloro-2-(2-iodophenoxy)aniline.
What is the SMILES notation for 4-chloro-2-(2-iodophenoxy)aniline?
The canonical SMILES for 4-chloro-2-(2-iodophenoxy)aniline is Nc1ccc(Cl)cc1Oc1ccccc1I.
What is the InChIKey of 4-chloro-2-(2-iodophenoxy)aniline?
The InChIKey is SJPNCSLVFYAWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClINO/c13-8-5-6-10(15)12(7-8)16-11-4-2-1-3-9(11)14/h1-7H,15H2.
What are the key properties of 4-chloro-2-(2-iodophenoxy)aniline?
4-chloro-2-(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 4-chloro-2-(2-iodophenoxy)aniline is sourced from PubChem (CID 115469275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).