5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol

C15H15F2NO2 — CID 63069226

IUPAC5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol
SMILESCOc1cc(F)ccc1NC(C)c1ccc(F)cc1O
InChIInChI=1S/C15H15F2NO2/c1-9(12-5-3-10(16)7-14(12)19)18-13-6-4-11(17)8-15(13)20-2/h3-9,18-19H,1-2H3
InChIKeyVKUDSDWHVNCTMB-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.85
Rot. Bonds4

About 5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol

5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol (PubChem CID 63069226) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol
PubChem CID63069226
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol
SMILESCOc1cc(F)ccc1NC(C)c1ccc(F)cc1O
InChIInChI=1S/C15H15F2NO2/c1-9(12-5-3-10(16)7-14(12)19)18-13-6-4-11(17)8-15(13)20-2/h3-9,18-19H,1-2H3
InChIKeyVKUDSDWHVNCTMB-UHFFFAOYSA-N
XLogP3.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol
CID 63064811
3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
CID 63064990
2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol
CID 63066349
5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol
CID 55146491
2-[1-(2-chloro-4-methylanilino)ethyl]-5-fluorophenol
CID 63064776
2-[1-(4-bromo-2,3-dichloroanilino)ethyl]-5-fluorophenol
CID 107787782
4-fluoro-N-[1-[5-fluoro-2-(3-fluorophenoxy)phenyl]ethyl]-2-methoxyaniline
CID 166327462
2-[1-(2-tert-butylanilino)ethyl]-5-fluorophenol
CID 63064456
4-[1-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol
CID 79769236
4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 54968451
2-[1-(3-bromo-5-methoxyanilino)ethyl]-5-fluorophenol
CID 82857306
2-(4-fluoro-2-methoxyanilino)propanamide
CID 47165201

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol (CID 63069226) is 5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol is COc1cc(F)ccc1NC(C)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol?
The InChIKey is VKUDSDWHVNCTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c1-9(12-5-3-10(16)7-14(12)19)18-13-6-4-11(17)8-15(13)20-2/h3-9,18-19H,1-2H3.
What are the key properties of 5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol?
5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol has a molecular weight of 279.29 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol is sourced from PubChem (CID 63069226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).