2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol

C13H19F2NO2 — CID 113251429

IUPAC2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
SMILESCCCC(C)(O)CNCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C13H19F2NO2/c1-3-4-13(2,18)8-16-7-9-5-10(14)12(17)11(15)6-9/h5-6,16-18H,3-4,7-8H2,1-2H3
InChIKeyRZGPVXGFBBZTDN-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.31
Rot. Bonds6

About 2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol

2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol (PubChem CID 113251429) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
PubChem CID113251429
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
SMILESCCCC(C)(O)CNCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C13H19F2NO2/c1-3-4-13(2,18)8-16-7-9-5-10(14)12(17)11(15)6-9/h5-6,16-18H,3-4,7-8H2,1-2H3
InChIKeyRZGPVXGFBBZTDN-UHFFFAOYSA-N
XLogP2.31
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromo-3-fluorophenyl)methylamino]-2-methylpentan-2-ol
CID 103773692
2-methyl-1-[(2,4,5-trifluorophenyl)methylamino]pentan-2-ol
CID 113263596
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
1-[(3-fluoro-4-nitrophenyl)methylamino]-2-methylpentan-2-ol
CID 106293013
2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol
CID 103897773
1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol
CID 115623479
3-[[(3,4,5-trifluorophenyl)methylamino]methyl]pentan-3-ol
CID 63101921
4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol
CID 65108006
2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
CID 115623477
2,6-difluoro-4-[(octylamino)methyl]phenol
CID 115566997
1-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]-2-methylpentan-2-ol
CID 106290858
1-[(3-bromo-4-methylphenyl)methylamino]-2-methylpentan-2-ol
CID 113344535

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol (CID 113251429) is 2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol is CCCC(C)(O)CNCc1cc(F)c(O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol?
The InChIKey is RZGPVXGFBBZTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-3-4-13(2,18)8-16-7-9-5-10(14)12(17)11(15)6-9/h5-6,16-18H,3-4,7-8H2,1-2H3.
What are the key properties of 2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol?
2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol has a molecular weight of 259.30 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol is sourced from PubChem (CID 113251429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).