1-(2,6-difluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol

C13H19F2NO3 — CID 111103219

IUPAC1-(2,6-difluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)CC(O)c1c(F)cccc1F
InChIInChI=1S/C13H19F2NO3/c1-19-8-6-16(5-7-17)9-12(18)13-10(14)3-2-4-11(13)15/h2-4,12,17-18H,5-9H2,1H3
InChIKeyNNZPVBUBRWRNLM-UHFFFAOYSA-N
MW275.29 g/mol
LogP0.94
Rot. Bonds8

About 1-(2,6-difluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol

1-(2,6-difluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol (PubChem CID 111103219) has the molecular formula C13H19F2NO3 and a molecular weight of 275.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
PubChem CID111103219
Molecular FormulaC13H19F2NO3
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name1-(2,6-difluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)CC(O)c1c(F)cccc1F
InChIInChI=1S/C13H19F2NO3/c1-19-8-6-16(5-7-17)9-12(18)13-10(14)3-2-4-11(13)15/h2-4,12,17-18H,5-9H2,1H3
InChIKeyNNZPVBUBRWRNLM-UHFFFAOYSA-N
XLogP0.94
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
CID 111103240
1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol
CID 111108552
2-[2-hydroxyethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 115629672
1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
CID 111103190
1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol
CID 82722763
3-amino-1-(2,6-difluorophenyl)-5-methoxypentan-1-ol
CID 113359747
1-(2-fluorophenyl)-2-[2-hydroxyethyl(propyl)amino]ethanol
CID 56811844
1-(2-aminophenyl)-2-[bis(2-methoxyethyl)amino]ethanol
CID 62264582
2-[bis(2-methoxyethyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60980971
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol
CID 111114317
3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol
CID 115872995
(1R)-1-[2-fluoro-6-[2-hydroxyethyl(methyl)amino]phenyl]ethanol
CID 63371010

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol (CID 111103219) is 1-(2,6-difluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol is COCCN(CCO)CC(O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol?
The InChIKey is NNZPVBUBRWRNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO3/c1-19-8-6-16(5-7-17)9-12(18)13-10(14)3-2-4-11(13)15/h2-4,12,17-18H,5-9H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol?
1-(2,6-difluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol has a molecular weight of 275.29 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol is sourced from PubChem (CID 111103219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).