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

C12H9ClINO — CID 43479593

IUPAC3-chloro-2-(2-iodophenoxy)aniline
SMILESNc1cccc(Cl)c1Oc1ccccc1I
InChIInChI=1S/C12H9ClINO/c13-8-4-3-6-10(15)12(8)16-11-7-2-1-5-9(11)14/h1-7H,15H2
InChIKeyDHOSWHNZFIJXMM-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.32
Rot. Bonds2

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

3-chloro-2-(2-iodophenoxy)aniline (PubChem CID 43479593) has the molecular formula C12H9ClINO and a molecular weight of 345.57 g/mol. Its IUPAC name is 3-chloro-2-(2-iodophenoxy)aniline.

Molecular Properties

Compound Name3-chloro-2-(2-iodophenoxy)aniline
PubChem CID43479593
Molecular FormulaC12H9ClINO
Molecular Weight345.57 g/mol
Exact Mass344.94
IUPAC Name3-chloro-2-(2-iodophenoxy)aniline
SMILESNc1cccc(Cl)c1Oc1ccccc1I
InChIInChI=1S/C12H9ClINO/c13-8-4-3-6-10(15)12(8)16-11-7-2-1-5-9(11)14/h1-7H,15H2
InChIKeyDHOSWHNZFIJXMM-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-chloro-6-(2-iodophenoxy)aniline
CID 104835012
3-amino-2-(2-iodophenoxy)benzoic acid
CID 112579765
3-chloro-2-(4-iodophenoxy)aniline
CID 43144713
3-chloro-2-(2,5-dichlorophenoxy)aniline
CID 29030363
2-(2-butan-2-ylphenoxy)-3-chloroaniline
CID 43101029
methyl 2-[2-(2-amino-6-chlorophenoxy)phenyl]acetate
CID 13409482
4-chloro-2-(2-iodophenoxy)aniline
CID 115469275
5-chloro-4-fluoro-2-(2-iodophenoxy)aniline
CID 66078879
1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
CID 72941859
3-chloro-2-methoxyaniline;hydrochloride
CID 17233805
1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine
CID 43479857
6-bromo-3-chloro-2-(2-chlorophenoxy)aniline
CID 170702693

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-iodophenoxy)aniline?
The IUPAC name of 3-chloro-2-(2-iodophenoxy)aniline (CID 43479593) is 3-chloro-2-(2-iodophenoxy)aniline.
What is the SMILES notation for 3-chloro-2-(2-iodophenoxy)aniline?
The canonical SMILES for 3-chloro-2-(2-iodophenoxy)aniline is Nc1cccc(Cl)c1Oc1ccccc1I.
What is the InChIKey of 3-chloro-2-(2-iodophenoxy)aniline?
The InChIKey is DHOSWHNZFIJXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClINO/c13-8-4-3-6-10(15)12(8)16-11-7-2-1-5-9(11)14/h1-7H,15H2.
What are the key properties of 3-chloro-2-(2-iodophenoxy)aniline?
3-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 3-chloro-2-(2-iodophenoxy)aniline is sourced from PubChem (CID 43479593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).