1-(2,6-difluorophenyl)-2-[1-(oxolan-3-yl)ethylamino]ethanol

C14H19F2NO2 — CID 115891595

IUPAC1-(2,6-difluorophenyl)-2-[1-(oxolan-3-yl)ethylamino]ethanol
SMILESCC(NCC(O)c1c(F)cccc1F)C1CCOC1
InChIInChI=1S/C14H19F2NO2/c1-9(10-5-6-19-8-10)17-7-13(18)14-11(15)3-2-4-12(14)16/h2-4,9-10,13,17-18H,5-8H2,1H3
InChIKeyNZQBWIJMGSIBNO-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.01
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-[1-(oxolan-3-yl)ethylamino]ethanol

1-(2,6-difluorophenyl)-2-[1-(oxolan-3-yl)ethylamino]ethanol (PubChem CID 115891595) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[1-(oxolan-3-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[1-(oxolan-3-yl)ethylamino]ethanol
PubChem CID115891595
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name1-(2,6-difluorophenyl)-2-[1-(oxolan-3-yl)ethylamino]ethanol
SMILESCC(NCC(O)c1c(F)cccc1F)C1CCOC1
InChIInChI=1S/C14H19F2NO2/c1-9(10-5-6-19-8-10)17-7-13(18)14-11(15)3-2-4-12(14)16/h2-4,9-10,13,17-18H,5-8H2,1H3
InChIKeyNZQBWIJMGSIBNO-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-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol
CID 103776795
1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol
CID 63711662
1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986582
2-(1-cyclohexylpropylamino)-1-(2,6-difluorophenyl)ethanol
CID 62406831
2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 99614822
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 104865494
2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113342855
2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115907787
2-bromo-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115655218
1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953069
1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol
CID 60979791
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[1-(oxolan-3-yl)ethylamino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[1-(oxolan-3-yl)ethylamino]ethanol (CID 115891595) is 1-(2,6-difluorophenyl)-2-[1-(oxolan-3-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[1-(oxolan-3-yl)ethylamino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[1-(oxolan-3-yl)ethylamino]ethanol is CC(NCC(O)c1c(F)cccc1F)C1CCOC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[1-(oxolan-3-yl)ethylamino]ethanol?
The InChIKey is NZQBWIJMGSIBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-9(10-5-6-19-8-10)17-7-13(18)14-11(15)3-2-4-12(14)16/h2-4,9-10,13,17-18H,5-8H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[1-(oxolan-3-yl)ethylamino]ethanol?
1-(2,6-difluorophenyl)-2-[1-(oxolan-3-yl)ethylamino]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-[1-(oxolan-3-yl)ethylamino]ethanol is sourced from PubChem (CID 115891595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).