2-[1-(2-chloro-4-iodoanilino)ethyl]-5-methoxyphenol

C15H15ClINO2 — CID 43733549

IUPAC2-[1-(2-chloro-4-iodoanilino)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)Nc2ccc(I)cc2Cl)c(O)c1
InChIInChI=1S/C15H15ClINO2/c1-9(12-5-4-11(20-2)8-15(12)19)18-14-6-3-10(17)7-13(14)16/h3-9,18-19H,1-2H3
InChIKeyJOXDCFMUCCPHSB-UHFFFAOYSA-N
MW403.65 g/mol
LogP4.83
Rot. Bonds4

About 2-[1-(2-chloro-4-iodoanilino)ethyl]-5-methoxyphenol

2-[1-(2-chloro-4-iodoanilino)ethyl]-5-methoxyphenol (PubChem CID 43733549) has the molecular formula C15H15ClINO2 and a molecular weight of 403.65 g/mol. Its IUPAC name is 2-[1-(2-chloro-4-iodoanilino)ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-(2-chloro-4-iodoanilino)ethyl]-5-methoxyphenol
PubChem CID43733549
Molecular FormulaC15H15ClINO2
Molecular Weight403.65 g/mol
Exact Mass402.98
IUPAC Name2-[1-(2-chloro-4-iodoanilino)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)Nc2ccc(I)cc2Cl)c(O)c1
InChIInChI=1S/C15H15ClINO2/c1-9(12-5-4-11(20-2)8-15(12)19)18-14-6-3-10(17)7-13(14)16/h3-9,18-19H,1-2H3
InChIKeyJOXDCFMUCCPHSB-UHFFFAOYSA-N
XLogP4.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.65
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-bromo-2-chloroanilino)ethyl]-5-methoxyphenol
CID 43168127
2-chloro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-iodoaniline
CID 43788791
2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-methoxyphenol
CID 104726376
2-[1-(2,4-dibromoanilino)ethyl]-5-methoxyphenol
CID 43683000
2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43093470
2-[1-(2,5-dimethylanilino)ethyl]-5-methoxyphenol
CID 43201643
2-[1-(4-bromo-3-chloroanilino)ethyl]-5-methoxyphenol
CID 107619385
2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol
CID 61076797
2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43788776
2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43194738
5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol
CID 79357914
2-[1-(4-bromo-2-chloroanilino)ethyl]-5-methylphenol
CID 43168129

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-4-iodoanilino)ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-(2-chloro-4-iodoanilino)ethyl]-5-methoxyphenol (CID 43733549) is 2-[1-(2-chloro-4-iodoanilino)ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-(2-chloro-4-iodoanilino)ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-(2-chloro-4-iodoanilino)ethyl]-5-methoxyphenol is COc1ccc(C(C)Nc2ccc(I)cc2Cl)c(O)c1.
What is the InChIKey of 2-[1-(2-chloro-4-iodoanilino)ethyl]-5-methoxyphenol?
The InChIKey is JOXDCFMUCCPHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClINO2/c1-9(12-5-4-11(20-2)8-15(12)19)18-14-6-3-10(17)7-13(14)16/h3-9,18-19H,1-2H3.
What are the key properties of 2-[1-(2-chloro-4-iodoanilino)ethyl]-5-methoxyphenol?
2-[1-(2-chloro-4-iodoanilino)ethyl]-5-methoxyphenol has a molecular weight of 403.65 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-4-iodoanilino)ethyl]-5-methoxyphenol is sourced from PubChem (CID 43733549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).