2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol

C16H17F2NO2 — CID 111457847

IUPAC2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol
SMILESOCCOc1ccccc1CNCc1cccc(F)c1F
InChIInChI=1S/C16H17F2NO2/c17-14-6-3-5-13(16(14)18)11-19-10-12-4-1-2-7-15(12)21-9-8-20/h1-7,19-20H,8-11H2
InChIKeyJBWBZUWFZLPABB-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.63
Rot. Bonds7

About 2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol

2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol (PubChem CID 111457847) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol
PubChem CID111457847
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol
SMILESOCCOc1ccccc1CNCc1cccc(F)c1F
InChIInChI=1S/C16H17F2NO2/c17-14-6-3-5-13(16(14)18)11-19-10-12-4-1-2-7-15(12)21-9-8-20/h1-7,19-20H,8-11H2
InChIKeyJBWBZUWFZLPABB-UHFFFAOYSA-N
XLogP2.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457786
2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457819
2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol
CID 102444898
N-[(2,3-difluorophenyl)methyl]-1-phenylmethanamine
CID 43424966
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60923656
3-(2,3-difluorophenoxy)propan-1-ol
CID 63037951
1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111458080
1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
CID 43658793
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide
CID 56823330
N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 43221042
2-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenoxy]ethanol
CID 111457794
2-[2-[2-(fluoroamino)ethyl]phenoxy]ethanol
CID 145401686

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol (CID 111457847) is 2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol is OCCOc1ccccc1CNCc1cccc(F)c1F.
What is the InChIKey of 2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol?
The InChIKey is JBWBZUWFZLPABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c17-14-6-3-5-13(16(14)18)11-19-10-12-4-1-2-7-15(12)21-9-8-20/h1-7,19-20H,8-11H2.
What are the key properties of 2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol?
2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol has a molecular weight of 293.31 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol is sourced from PubChem (CID 111457847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).