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

C14H13FINO — CID 79769055

IUPAC2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol
SMILESCC(Nc1ccc(F)cc1I)c1ccccc1O
InChIInChI=1S/C14H13FINO/c1-9(11-4-2-3-5-14(11)18)17-13-7-6-10(15)8-12(13)16/h2-9,17-18H,1H3
InChIKeyJRWHJCFTMLMUEG-UHFFFAOYSA-N
MW357.17 g/mol
LogP4.31
Rot. Bonds3

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

2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol (PubChem CID 79769055) has the molecular formula C14H13FINO and a molecular weight of 357.17 g/mol. Its IUPAC name is 2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol
PubChem CID79769055
Molecular FormulaC14H13FINO
Molecular Weight357.17 g/mol
Exact Mass357.00
IUPAC Name2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol
SMILESCC(Nc1ccc(F)cc1I)c1ccccc1O
InChIInChI=1S/C14H13FINO/c1-9(11-4-2-3-5-14(11)18)17-13-7-6-10(15)8-12(13)16/h2-9,17-18H,1H3
InChIKeyJRWHJCFTMLMUEG-UHFFFAOYSA-N
XLogP4.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol 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-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol
CID 79769236
2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol
CID 107633370
2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol
CID 43716635
4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol
CID 79768643
2-[1-(2-tert-butylanilino)ethyl]-5-fluorophenol
CID 63064456
4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline
CID 112677053
2-[1-(2-methylsulfanylanilino)ethyl]phenol
CID 43683498
3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol
CID 79768647
2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline
CID 43119409
5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol
CID 63069226
2-[1-(4-fluoro-2-methylanilino)ethyl]benzene-1,4-diol
CID 43195958
4-fluoro-2-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 79758863

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol?
The IUPAC name of 2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol (CID 79769055) is 2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol.
What is the SMILES notation for 2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol?
The canonical SMILES for 2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol is CC(Nc1ccc(F)cc1I)c1ccccc1O.
What is the InChIKey of 2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol?
The InChIKey is JRWHJCFTMLMUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FINO/c1-9(11-4-2-3-5-14(11)18)17-13-7-6-10(15)8-12(13)16/h2-9,17-18H,1H3.
What are the key properties of 2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol?
2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol has a molecular weight of 357.17 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol is sourced from PubChem (CID 79769055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).