2,6-difluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol

C12H17F2NO2 — CID 79832225

IUPAC2,6-difluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol
SMILESCCC(C)(CO)NCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C12H17F2NO2/c1-3-12(2,7-16)15-6-8-4-9(13)11(17)10(14)5-8/h4-5,15-17H,3,6-7H2,1-2H3
InChIKeyZGSFHORGOFTOTF-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.92
Rot. Bonds5

About 2,6-difluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol

2,6-difluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol (PubChem CID 79832225) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2,6-difluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol
PubChem CID79832225
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name2,6-difluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol
SMILESCCC(C)(CO)NCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C12H17F2NO2/c1-3-12(2,7-16)15-6-8-4-9(13)11(17)10(14)5-8/h4-5,15-17H,3,6-7H2,1-2H3
InChIKeyZGSFHORGOFTOTF-UHFFFAOYSA-N
XLogP1.92
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol (CID 79832225) is 2,6-difluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol is CCC(C)(CO)NCc1cc(F)c(O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol?
The InChIKey is ZGSFHORGOFTOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-3-12(2,7-16)15-6-8-4-9(13)11(17)10(14)5-8/h4-5,15-17H,3,6-7H2,1-2H3.
What are the key properties of 2,6-difluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol?
2,6-difluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol has a molecular weight of 245.27 g/mol, XLogP of 1.92, 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-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 79832225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).