2,6-difluoro-4-[[4-(2-hydroxyethyl)anilino]methyl]phenol

C15H15F2NO2 — CID 79891958

IUPAC2,6-difluoro-4-[[4-(2-hydroxyethyl)anilino]methyl]phenol
SMILESOCCc1ccc(NCc2cc(F)c(O)c(F)c2)cc1
InChIInChI=1S/C15H15F2NO2/c16-13-7-11(8-14(17)15(13)20)9-18-12-3-1-10(2-4-12)5-6-19/h1-4,7-8,18-20H,5-6,9H2
InChIKeyGHWYKEFJYRJILB-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.82
Rot. Bonds5

About 2,6-difluoro-4-[[4-(2-hydroxyethyl)anilino]methyl]phenol

2,6-difluoro-4-[[4-(2-hydroxyethyl)anilino]methyl]phenol (PubChem CID 79891958) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2,6-difluoro-4-[[4-(2-hydroxyethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[4-(2-hydroxyethyl)anilino]methyl]phenol
PubChem CID79891958
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2,6-difluoro-4-[[4-(2-hydroxyethyl)anilino]methyl]phenol
SMILESOCCc1ccc(NCc2cc(F)c(O)c(F)c2)cc1
InChIInChI=1S/C15H15F2NO2/c16-13-7-11(8-14(17)15(13)20)9-18-12-3-1-10(2-4-12)5-6-19/h1-4,7-8,18-20H,5-6,9H2
InChIKeyGHWYKEFJYRJILB-UHFFFAOYSA-N
XLogP2.82
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol
CID 81002416
4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol
CID 79891482
2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol
CID 103946844
2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol
CID 79891427
2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol
CID 61238413
4-[(1,3-benzodioxol-5-ylamino)methyl]-2,6-difluorophenol
CID 79886832
2-[4-[(2,5-dichlorophenyl)methylamino]phenyl]ethanol
CID 103845164
2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol
CID 79886052
2,6-difluoro-4-[(4-fluoro-3-nitroanilino)methyl]phenol
CID 79882745
2-[4-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]phenyl]ethanol
CID 61236596
2,6-difluoro-4-[(3-methylsulfanylanilino)methyl]phenol
CID 79831774
2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol
CID 79883860

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[4-(2-hydroxyethyl)anilino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[4-(2-hydroxyethyl)anilino]methyl]phenol (CID 79891958) is 2,6-difluoro-4-[[4-(2-hydroxyethyl)anilino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[4-(2-hydroxyethyl)anilino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[4-(2-hydroxyethyl)anilino]methyl]phenol is OCCc1ccc(NCc2cc(F)c(O)c(F)c2)cc1.
What is the InChIKey of 2,6-difluoro-4-[[4-(2-hydroxyethyl)anilino]methyl]phenol?
The InChIKey is GHWYKEFJYRJILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c16-13-7-11(8-14(17)15(13)20)9-18-12-3-1-10(2-4-12)5-6-19/h1-4,7-8,18-20H,5-6,9H2.
What are the key properties of 2,6-difluoro-4-[[4-(2-hydroxyethyl)anilino]methyl]phenol?
2,6-difluoro-4-[[4-(2-hydroxyethyl)anilino]methyl]phenol has a molecular weight of 279.29 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[4-(2-hydroxyethyl)anilino]methyl]phenol is sourced from PubChem (CID 79891958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).