2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol

C12H18FNO2 — CID 43284900

IUPAC2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol
SMILESCCNC(C)c1ccc(OCCO)c(F)c1
InChIInChI=1S/C12H18FNO2/c1-3-14-9(2)10-4-5-12(11(13)8-10)16-7-6-15/h4-5,8-9,14-15H,3,6-7H2,1-2H3
InChIKeyWSBQHPXOJORCDE-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.87
Rot. Bonds6

About 2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol

2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol (PubChem CID 43284900) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol
PubChem CID43284900
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol
SMILESCCNC(C)c1ccc(OCCO)c(F)c1
InChIInChI=1S/C12H18FNO2/c1-3-14-9(2)10-4-5-12(11(13)8-10)16-7-6-15/h4-5,8-9,14-15H,3,6-7H2,1-2H3
InChIKeyWSBQHPXOJORCDE-UHFFFAOYSA-N
XLogP1.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine
CID 43285081
N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 43285227
N-ethyl-1-[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82787624
N-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106722508
3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol
CID 113389475
N-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine
CID 43284973
4-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-1-ol
CID 113389746
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine
CID 63685288
N-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine
CID 43285513
N-[(1S)-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 28702275
N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine
CID 29064082

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol?
The IUPAC name of 2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol (CID 43284900) is 2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol.
What is the SMILES notation for 2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol?
The canonical SMILES for 2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol is CCNC(C)c1ccc(OCCO)c(F)c1.
What is the InChIKey of 2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol?
The InChIKey is WSBQHPXOJORCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-3-14-9(2)10-4-5-12(11(13)8-10)16-7-6-15/h4-5,8-9,14-15H,3,6-7H2,1-2H3.
What are the key properties of 2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol?
2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol has a molecular weight of 227.28 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol is sourced from PubChem (CID 43284900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).