5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol

C13H19F2NO2 — CID 106131236

IUPAC5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
SMILESCC(O)CCCNCC(O)c1c(F)cccc1F
InChIInChI=1S/C13H19F2NO2/c1-9(17)4-3-7-16-8-12(18)13-10(14)5-2-6-11(13)15/h2,5-6,9,12,16-18H,3-4,7-8H2,1H3
InChIKeyJHCHCQXGHLBKPU-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.75
Rot. Bonds7

About 5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol

5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol (PubChem CID 106131236) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol.

Molecular Properties

Compound Name5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
PubChem CID106131236
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
SMILESCC(O)CCCNCC(O)c1c(F)cccc1F
InChIInChI=1S/C13H19F2NO2/c1-9(17)4-3-7-16-8-12(18)13-10(14)5-2-6-11(13)15/h2,5-6,9,12,16-18H,3-4,7-8H2,1H3
InChIKeyJHCHCQXGHLBKPU-UHFFFAOYSA-N
XLogP1.75
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131230
1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol
CID 60898591
2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol
CID 61171635
ethyl 4-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]butanoate
CID 64578937
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide
CID 54938590
2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271298
1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285685
5-[[(2R)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131822
1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62774538
1-(2,6-difluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]ethanol
CID 106104708

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol?
The IUPAC name of 5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol (CID 106131236) is 5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol.
What is the SMILES notation for 5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol?
The canonical SMILES for 5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol is CC(O)CCCNCC(O)c1c(F)cccc1F.
What is the InChIKey of 5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol?
The InChIKey is JHCHCQXGHLBKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-9(17)4-3-7-16-8-12(18)13-10(14)5-2-6-11(13)15/h2,5-6,9,12,16-18H,3-4,7-8H2,1H3.
What are the key properties of 5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol?
5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol has a molecular weight of 259.30 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol is sourced from PubChem (CID 106131236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).