2-(2-chloro-5-methylphenoxy)-5-iodoaniline

C13H11ClINO — CID 66081953

IUPAC2-(2-chloro-5-methylphenoxy)-5-iodoaniline
SMILESCc1ccc(Cl)c(Oc2ccc(I)cc2N)c1
InChIInChI=1S/C13H11ClINO/c1-8-2-4-10(14)13(6-8)17-12-5-3-9(15)7-11(12)16/h2-7H,16H2,1H3
InChIKeyWOTUOPQQSZFKMU-UHFFFAOYSA-N
MW359.59 g/mol
LogP4.63
Rot. Bonds2

About 2-(2-chloro-5-methylphenoxy)-5-iodoaniline

2-(2-chloro-5-methylphenoxy)-5-iodoaniline (PubChem CID 66081953) has the molecular formula C13H11ClINO and a molecular weight of 359.59 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-5-iodoaniline.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-5-iodoaniline
PubChem CID66081953
Molecular FormulaC13H11ClINO
Molecular Weight359.59 g/mol
Exact Mass358.96
IUPAC Name2-(2-chloro-5-methylphenoxy)-5-iodoaniline
SMILESCc1ccc(Cl)c(Oc2ccc(I)cc2N)c1
InChIInChI=1S/C13H11ClINO/c1-8-2-4-10(14)13(6-8)17-12-5-3-9(15)7-11(12)16/h2-7H,16H2,1H3
InChIKeyWOTUOPQQSZFKMU-UHFFFAOYSA-N
XLogP4.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.59
LogP ≤ 54.63
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-fluoro-5-methylphenoxy)-5-iodoaniline
CID 66080579
2-(2-bromo-4-methylphenoxy)-5-iodoaniline
CID 66079971
2-(2-chloro-5-methylphenoxy)aniline
CID 26189098
2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline
CID 63598602
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728
2-(4-tert-butyl-2-methylphenoxy)-5-iodoaniline
CID 66080569
4-(2-chloro-4-methylphenoxy)-3-iodoaniline
CID 66094007
1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
CID 62910687
6-(2-chloro-5-methylphenoxy)quinolin-5-amine
CID 43809883
2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline
CID 115555326
2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile
CID 107928144
2-(4-chloro-3-fluorophenoxy)-5-methylaniline
CID 82716538

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-5-iodoaniline?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-5-iodoaniline (CID 66081953) is 2-(2-chloro-5-methylphenoxy)-5-iodoaniline.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-5-iodoaniline?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-5-iodoaniline is Cc1ccc(Cl)c(Oc2ccc(I)cc2N)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-5-iodoaniline?
The InChIKey is WOTUOPQQSZFKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClINO/c1-8-2-4-10(14)13(6-8)17-12-5-3-9(15)7-11(12)16/h2-7H,16H2,1H3.
What are the key properties of 2-(2-chloro-5-methylphenoxy)-5-iodoaniline?
2-(2-chloro-5-methylphenoxy)-5-iodoaniline has a molecular weight of 359.59 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-5-iodoaniline is sourced from PubChem (CID 66081953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).