4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol

C15H15FINO2 — CID 79768643

IUPAC4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)Nc2ccc(F)cc2I)ccc1O
InChIInChI=1S/C15H15FINO2/c1-9(10-3-6-14(19)15(7-10)20-2)18-13-5-4-11(16)8-12(13)17/h3-9,18-19H,1-2H3
InChIKeyLFASCGPACZYAEU-UHFFFAOYSA-N
MW387.19 g/mol
LogP4.32
Rot. Bonds4

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

4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol (PubChem CID 79768643) has the molecular formula C15H15FINO2 and a molecular weight of 387.19 g/mol. Its IUPAC name is 4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol
PubChem CID79768643
Molecular FormulaC15H15FINO2
Molecular Weight387.19 g/mol
Exact Mass387.01
IUPAC Name4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)Nc2ccc(F)cc2I)ccc1O
InChIInChI=1S/C15H15FINO2/c1-9(10-3-6-14(19)15(7-10)20-2)18-13-5-4-11(16)8-12(13)17/h3-9,18-19H,1-2H3
InChIKeyLFASCGPACZYAEU-UHFFFAOYSA-N
XLogP4.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.19
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol
CID 43124744
4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol
CID 43194672
4-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-iodoaniline
CID 107632142
2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol
CID 43193429
3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741825
4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
CID 106953620
2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol
CID 79769055
4-[1-(5-bromo-4-fluoro-2-methylanilino)ethyl]-2-methoxyphenol
CID 107591502
4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol
CID 163482577
2-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-fluoroaniline
CID 107633267
4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline
CID 43195979
4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol
CID 83073198

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol (CID 79768643) is 4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol is COc1cc(C(C)Nc2ccc(F)cc2I)ccc1O.
What is the InChIKey of 4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol?
The InChIKey is LFASCGPACZYAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FINO2/c1-9(10-3-6-14(19)15(7-10)20-2)18-13-5-4-11(16)8-12(13)17/h3-9,18-19H,1-2H3.
What are the key properties of 4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol?
4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol has a molecular weight of 387.19 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol is sourced from PubChem (CID 79768643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).