2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol

C12H17F2NO3 — CID 79891777

IUPAC2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol
SMILESCNCc1cc(F)c(OCCOCCO)c(F)c1
InChIInChI=1S/C12H17F2NO3/c1-15-8-9-6-10(13)12(11(14)7-9)18-5-4-17-3-2-16/h6-7,15-16H,2-5,8H2,1H3
InChIKeyJDRGSEOJZJXBLH-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.07
Rot. Bonds8

About 2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol

2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol (PubChem CID 79891777) has the molecular formula C12H17F2NO3 and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol
PubChem CID79891777
Molecular FormulaC12H17F2NO3
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol
SMILESCNCc1cc(F)c(OCCOCCO)c(F)c1
InChIInChI=1S/C12H17F2NO3/c1-15-8-9-6-10(13)12(11(14)7-9)18-5-4-17-3-2-16/h6-7,15-16H,2-5,8H2,1H3
InChIKeyJDRGSEOJZJXBLH-UHFFFAOYSA-N
XLogP1.07
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 80698852
2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol
CID 79887012
1-[3,5-difluoro-4-(4,4,4-trifluorobutoxy)phenyl]-N-methylmethanamine
CID 115513282
N-[[4-(2-butoxyethoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 79891496
1-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988810
N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106450448
4-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 79892079
1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine
CID 107006244
1-[3,5-difluoro-4-(2-propylsulfonylethoxy)phenyl]-N-methylmethanamine
CID 106722374
4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol
CID 79891366
3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]propan-1-ol
CID 79891940
5-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
CID 79892333

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol (CID 79891777) is 2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol is CNCc1cc(F)c(OCCOCCO)c(F)c1.
What is the InChIKey of 2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol?
The InChIKey is JDRGSEOJZJXBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3/c1-15-8-9-6-10(13)12(11(14)7-9)18-5-4-17-3-2-16/h6-7,15-16H,2-5,8H2,1H3.
What are the key properties of 2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol?
2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol has a molecular weight of 261.27 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol is sourced from PubChem (CID 79891777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).