4-(2-chloro-4-methylphenoxy)-3-iodoaniline

C13H11ClINO — CID 66094007

IUPAC4-(2-chloro-4-methylphenoxy)-3-iodoaniline
SMILESCc1ccc(Oc2ccc(N)cc2I)c(Cl)c1
InChIInChI=1S/C13H11ClINO/c1-8-2-4-12(10(14)6-8)17-13-5-3-9(16)7-11(13)15/h2-7H,16H2,1H3
InChIKeyGVBUTNMMNCHAOC-UHFFFAOYSA-N
MW359.59 g/mol
LogP4.63
Rot. Bonds2

About 4-(2-chloro-4-methylphenoxy)-3-iodoaniline

4-(2-chloro-4-methylphenoxy)-3-iodoaniline (PubChem CID 66094007) has the molecular formula C13H11ClINO and a molecular weight of 359.59 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenoxy)-3-iodoaniline.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenoxy)-3-iodoaniline
PubChem CID66094007
Molecular FormulaC13H11ClINO
Molecular Weight359.59 g/mol
Exact Mass358.96
IUPAC Name4-(2-chloro-4-methylphenoxy)-3-iodoaniline
SMILESCc1ccc(Oc2ccc(N)cc2I)c(Cl)c1
InChIInChI=1S/C13H11ClINO/c1-8-2-4-12(10(14)6-8)17-13-5-3-9(16)7-11(13)15/h2-7H,16H2,1H3
InChIKeyGVBUTNMMNCHAOC-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

4-(2,4-dimethylphenoxy)-3-iodoaniline
CID 66094612
5-amino-2-(2-chloro-4-methylphenoxy)benzonitrile
CID 62670401
5-amino-2-(2-chloro-4-methylphenoxy)benzamide
CID 62671488
4-(2-tert-butyl-5-methylphenoxy)-3-chloroaniline
CID 29012989
2-(2-chloro-4-methylphenoxy)pyridin-4-amine
CID 62670410
2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline
CID 115555326
2-chloro-6-(2-chloro-4-methylphenoxy)aniline
CID 113458741
2-(2-chloro-5-methylphenoxy)-5-iodoaniline
CID 66081953
4-(2-fluoro-3-methylphenoxy)-3-iodoaniline
CID 107655538
(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399
3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline
CID 43173727
4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline
CID 113443529

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenoxy)-3-iodoaniline?
The IUPAC name of 4-(2-chloro-4-methylphenoxy)-3-iodoaniline (CID 66094007) is 4-(2-chloro-4-methylphenoxy)-3-iodoaniline.
What is the SMILES notation for 4-(2-chloro-4-methylphenoxy)-3-iodoaniline?
The canonical SMILES for 4-(2-chloro-4-methylphenoxy)-3-iodoaniline is Cc1ccc(Oc2ccc(N)cc2I)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-methylphenoxy)-3-iodoaniline?
The InChIKey is GVBUTNMMNCHAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClINO/c1-8-2-4-12(10(14)6-8)17-13-5-3-9(16)7-11(13)15/h2-7H,16H2,1H3.
What are the key properties of 4-(2-chloro-4-methylphenoxy)-3-iodoaniline?
4-(2-chloro-4-methylphenoxy)-3-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 4-(2-chloro-4-methylphenoxy)-3-iodoaniline is sourced from PubChem (CID 66094007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).