3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol

C14H22FNO2 — CID 113389475

IUPAC3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol
SMILESCCNC(C)c1ccc(OC(C)C(C)O)c(F)c1
InChIInChI=1S/C14H22FNO2/c1-5-16-9(2)12-6-7-14(13(15)8-12)18-11(4)10(3)17/h6-11,16-17H,5H2,1-4H3
InChIKeyTWUAWNMCRTYXKQ-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.64
Rot. Bonds6

About 3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol

3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol (PubChem CID 113389475) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol.

Molecular Properties

Compound Name3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol
PubChem CID113389475
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol
SMILESCCNC(C)c1ccc(OC(C)C(C)O)c(F)c1
InChIInChI=1S/C14H22FNO2/c1-5-16-9(2)12-6-7-14(13(15)8-12)18-11(4)10(3)17/h6-11,16-17H,5H2,1-4H3
InChIKeyTWUAWNMCRTYXKQ-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol
CID 43284900
N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 43285227
N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine
CID 43285081
3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]butan-2-ol
CID 107717129
N-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine
CID 43285513
N-ethyl-1-[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82787624
(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906950
4-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]benzonitrile
CID 43285566
1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine
CID 43286578
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
N-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine
CID 43284973
N-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106722508

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol?
The IUPAC name of 3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol (CID 113389475) is 3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol.
What is the SMILES notation for 3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol?
The canonical SMILES for 3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol is CCNC(C)c1ccc(OC(C)C(C)O)c(F)c1.
What is the InChIKey of 3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol?
The InChIKey is TWUAWNMCRTYXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-5-16-9(2)12-6-7-14(13(15)8-12)18-11(4)10(3)17/h6-11,16-17H,5H2,1-4H3.
What are the key properties of 3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol?
3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol has a molecular weight of 255.33 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol is sourced from PubChem (CID 113389475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).