1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol

C14H19F2NO2 — CID 63711662

IUPAC1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol
SMILESOC(CNCC1CCOCC1)c1c(F)cccc1F
InChIInChI=1S/C14H19F2NO2/c15-11-2-1-3-12(16)14(11)13(18)9-17-8-10-4-6-19-7-5-10/h1-3,10,13,17-18H,4-9H2
InChIKeyMGKLKPQGEPGDMC-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.01
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol

1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol (PubChem CID 63711662) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol
PubChem CID63711662
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol
SMILESOC(CNCC1CCOCC1)c1c(F)cccc1F
InChIInChI=1S/C14H19F2NO2/c15-11-2-1-3-12(16)14(11)13(18)9-17-8-10-4-6-19-7-5-10/h1-3,10,13,17-18H,4-9H2
InChIKeyMGKLKPQGEPGDMC-UHFFFAOYSA-N
XLogP2.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986582
2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 64911588
2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol
CID 63683000
1-(2,6-difluorophenyl)-2-[1-(oxolan-3-yl)ethylamino]ethanol
CID 115891595
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
(1S)-1-[2-fluoro-6-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanol
CID 78948278
2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol
CID 60896945
2-bromo-6-fluoro-N-(oxan-4-ylmethyl)aniline
CID 104626192
1-(2,6-difluorophenyl)-2-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethylamino)ethanol
CID 138017546
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674
1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol
CID 63794992
1-(1,3-benzodioxol-5-yl)-2-(oxan-4-ylmethylamino)ethanol
CID 63727696

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol (CID 63711662) is 1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol is OC(CNCC1CCOCC1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol?
The InChIKey is MGKLKPQGEPGDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c15-11-2-1-3-12(16)14(11)13(18)9-17-8-10-4-6-19-7-5-10/h1-3,10,13,17-18H,4-9H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol?
1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol has a molecular weight of 271.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol is sourced from PubChem (CID 63711662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).