1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol

C11H15F2NO3 — CID 82722763

IUPAC1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol
SMILESCOCCONCC(O)c1c(F)cccc1F
InChIInChI=1S/C11H15F2NO3/c1-16-5-6-17-14-7-10(15)11-8(12)3-2-4-9(11)13/h2-4,10,14-15H,5-7H2,1H3
InChIKeyADYVMWMSPGEMJE-UHFFFAOYSA-N
MW247.24 g/mol
LogP1.17
Rot. Bonds7

About 1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol

1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol (PubChem CID 82722763) has the molecular formula C11H15F2NO3 and a molecular weight of 247.24 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol
PubChem CID82722763
Molecular FormulaC11H15F2NO3
Molecular Weight247.24 g/mol
Exact Mass247.10
IUPAC Name1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol
SMILESCOCCONCC(O)c1c(F)cccc1F
InChIInChI=1S/C11H15F2NO3/c1-16-5-6-17-14-7-10(15)11-8(12)3-2-4-9(11)13/h2-4,10,14-15H,5-7H2,1H3
InChIKeyADYVMWMSPGEMJE-UHFFFAOYSA-N
XLogP1.17
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol
CID 82723098
1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol
CID 64603633
1-(furan-2-yl)-2-(2-methoxyethoxyamino)ethanol
CID 82721538
1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62774538
1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 114275160
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1-methoxybutan-2-yl)urea
CID 111450715
3-amino-1-(2,6-difluorophenyl)-5-methoxypentan-1-ol
CID 113359747
1-(2,6-difluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
CID 111103219
2-(2-methoxyethoxyamino)-1-naphthalen-2-ylethanol
CID 82723004
2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol
CID 61171635
1-(2-fluorophenyl)-N-(2-methoxyethoxy)methanamine
CID 82712660
1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene
CID 111450119

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol (CID 82722763) is 1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol is COCCONCC(O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol?
The InChIKey is ADYVMWMSPGEMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3/c1-16-5-6-17-14-7-10(15)11-8(12)3-2-4-9(11)13/h2-4,10,14-15H,5-7H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol?
1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol has a molecular weight of 247.24 g/mol, XLogP of 1.17, 7 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-methoxyethoxyamino)ethanol is sourced from PubChem (CID 82722763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).