2-[2-[(2,6-difluorophenyl)methylamino]ethoxy]ethanol

C11H15F2NO2 — CID 28727255

IUPAC2-[2-[(2,6-difluorophenyl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1c(F)cccc1F
InChIInChI=1S/C11H15F2NO2/c12-10-2-1-3-11(13)9(10)8-14-4-6-16-7-5-15/h1-3,14-15H,4-8H2
InChIKeyWNYSZESITBHBIE-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.06
Rot. Bonds7

About 2-[2-[(2,6-difluorophenyl)methylamino]ethoxy]ethanol

2-[2-[(2,6-difluorophenyl)methylamino]ethoxy]ethanol (PubChem CID 28727255) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 2-[2-[(2,6-difluorophenyl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2,6-difluorophenyl)methylamino]ethoxy]ethanol
PubChem CID28727255
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name2-[2-[(2,6-difluorophenyl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1c(F)cccc1F
InChIInChI=1S/C11H15F2NO2/c12-10-2-1-3-11(13)9(10)8-14-4-6-16-7-5-15/h1-3,14-15H,4-8H2
InChIKeyWNYSZESITBHBIE-UHFFFAOYSA-N
XLogP1.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(2-chloro-6-fluorophenyl)methylamino]propoxy]ethanol
CID 103992408
2-[2-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol
CID 17155107
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol
CID 107230613
N-[(2,6-difluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115600224
2-[2-[(3-fluoro-4-methylphenyl)methylamino]ethoxy]ethanol
CID 63646363
2-[2-[[2-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethoxy]ethanol
CID 66533707
2-[2-[(6-methyl-2-pyridinyl)methylamino]ethoxy]ethanol
CID 62323741
2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol
CID 60689345
2-[2-[(3-phenylphenyl)methylamino]ethoxy]ethanol
CID 110929290
2-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethoxy]ethanol
CID 82705701
2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol
CID 17155127

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,6-difluorophenyl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2,6-difluorophenyl)methylamino]ethoxy]ethanol (CID 28727255) is 2-[2-[(2,6-difluorophenyl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2,6-difluorophenyl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2,6-difluorophenyl)methylamino]ethoxy]ethanol is OCCOCCNCc1c(F)cccc1F.
What is the InChIKey of 2-[2-[(2,6-difluorophenyl)methylamino]ethoxy]ethanol?
The InChIKey is WNYSZESITBHBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c12-10-2-1-3-11(13)9(10)8-14-4-6-16-7-5-15/h1-3,14-15H,4-8H2.
What are the key properties of 2-[2-[(2,6-difluorophenyl)methylamino]ethoxy]ethanol?
2-[2-[(2,6-difluorophenyl)methylamino]ethoxy]ethanol has a molecular weight of 231.24 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-difluorophenyl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 28727255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).