5-chloro-2-(3-iodophenoxy)aniline

C12H9ClINO — CID 43144795

IUPAC5-chloro-2-(3-iodophenoxy)aniline
SMILESNc1cc(Cl)ccc1Oc1cccc(I)c1
InChIInChI=1S/C12H9ClINO/c13-8-4-5-12(11(15)6-8)16-10-3-1-2-9(14)7-10/h1-7H,15H2
InChIKeyQDIBOACNMMLCOJ-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.32
Rot. Bonds2

About 5-chloro-2-(3-iodophenoxy)aniline

5-chloro-2-(3-iodophenoxy)aniline (PubChem CID 43144795) has the molecular formula C12H9ClINO and a molecular weight of 345.57 g/mol. Its IUPAC name is 5-chloro-2-(3-iodophenoxy)aniline.

Molecular Properties

Compound Name5-chloro-2-(3-iodophenoxy)aniline
PubChem CID43144795
Molecular FormulaC12H9ClINO
Molecular Weight345.57 g/mol
Exact Mass344.94
IUPAC Name5-chloro-2-(3-iodophenoxy)aniline
SMILESNc1cc(Cl)ccc1Oc1cccc(I)c1
InChIInChI=1S/C12H9ClINO/c13-8-4-5-12(11(15)6-8)16-10-3-1-2-9(14)7-10/h1-7H,15H2
InChIKeyQDIBOACNMMLCOJ-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-(3-tert-butylphenoxy)-5-chloroaniline
CID 26189308
methyl 3-(2-amino-4-chlorophenoxy)benzoate
CID 26189305
5-chloro-2-(3-methylsulfonylphenoxy)aniline
CID 43806849
N-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide
CID 26189302
5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 43450725
1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone
CID 82133162
2-(2-amino-4-chlorophenoxy)phenol
CID 130156009
N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide
CID 100513507
4-amino-3-(3-iodophenoxy)benzoic acid
CID 82796588
2-[2-(3-iodophenoxy)phenyl]ethanamine
CID 63803655
1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494556
5-chloro-2-quinolin-3-yloxyaniline
CID 107386897

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-iodophenoxy)aniline?
The IUPAC name of 5-chloro-2-(3-iodophenoxy)aniline (CID 43144795) is 5-chloro-2-(3-iodophenoxy)aniline.
What is the SMILES notation for 5-chloro-2-(3-iodophenoxy)aniline?
The canonical SMILES for 5-chloro-2-(3-iodophenoxy)aniline is Nc1cc(Cl)ccc1Oc1cccc(I)c1.
What is the InChIKey of 5-chloro-2-(3-iodophenoxy)aniline?
The InChIKey is QDIBOACNMMLCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClINO/c13-8-4-5-12(11(15)6-8)16-10-3-1-2-9(14)7-10/h1-7H,15H2.
What are the key properties of 5-chloro-2-(3-iodophenoxy)aniline?
5-chloro-2-(3-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 5-chloro-2-(3-iodophenoxy)aniline is sourced from PubChem (CID 43144795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).