2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol

C13H19F2NO2 — CID 113251415

IUPAC2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol
SMILESCC(C)COCCNCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C13H19F2NO2/c1-9(2)8-18-4-3-16-7-10-5-11(14)13(17)12(15)6-10/h5-6,9,16-17H,3-4,7-8H2,1-2H3
InChIKeyAIVGDRPSEPXYNZ-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.43
Rot. Bonds7

About 2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol

2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol (PubChem CID 113251415) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol
PubChem CID113251415
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol
SMILESCC(C)COCCNCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C13H19F2NO2/c1-9(2)8-18-4-3-16-7-10-5-11(14)13(17)12(15)6-10/h5-6,9,16-17H,3-4,7-8H2,1-2H3
InChIKeyAIVGDRPSEPXYNZ-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(2-methylpropoxy)ethylamino]methyl]benzene-1,2-diol
CID 113224468
N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106450448
4-[(3-butoxypropylamino)methyl]-2,6-difluorophenol
CID 115680041
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol
CID 115680060
N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584556
N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220
2-(2,2-difluoroethoxy)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 103081062
2,6-difluoro-4-[(octylamino)methyl]phenol
CID 115566997
N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115587159
N-[(3-bromo-4-fluorophenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28681813
2,6-difluoro-4-[[2-(3-methylphenoxy)ethylamino]methyl]phenol
CID 79831957

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol (CID 113251415) is 2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol is CC(C)COCCNCc1cc(F)c(O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol?
The InChIKey is AIVGDRPSEPXYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-9(2)8-18-4-3-16-7-10-5-11(14)13(17)12(15)6-10/h5-6,9,16-17H,3-4,7-8H2,1-2H3.
What are the key properties of 2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol?
2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol has a molecular weight of 259.30 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol is sourced from PubChem (CID 113251415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).