3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol

C13H20FNO2 — CID 107716497

IUPAC3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol
SMILESCNC(C)c1ccc(OC(C)C(C)O)cc1F
InChIInChI=1S/C13H20FNO2/c1-8(15-4)12-6-5-11(7-13(12)14)17-10(3)9(2)16/h5-10,15-16H,1-4H3
InChIKeySVNYWQNVULPTLZ-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.25
Rot. Bonds5

About 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol

3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol (PubChem CID 107716497) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol.

Molecular Properties

Compound Name3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol
PubChem CID107716497
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol
SMILESCNC(C)c1ccc(OC(C)C(C)O)cc1F
InChIInChI=1S/C13H20FNO2/c1-8(15-4)12-6-5-11(7-13(12)14)17-10(3)9(2)16/h5-10,15-16H,1-4H3
InChIKeySVNYWQNVULPTLZ-UHFFFAOYSA-N
XLogP2.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]butan-2-ol
CID 107717129
1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine
CID 107891171
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
CID 107716600
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide
CID 107716852
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide
CID 107716763
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,2-dimethylpropanoic acid
CID 107716703
1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 107716918
methyl 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,2-dimethylpropanoate
CID 107716503
1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine
CID 107716952
N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide
CID 107716470
(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55276652
(1R)-1-[4-(difluoromethoxy)-2-fluorophenyl]ethanol
CID 107720298

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol?
The IUPAC name of 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol (CID 107716497) is 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol.
What is the SMILES notation for 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol?
The canonical SMILES for 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol is CNC(C)c1ccc(OC(C)C(C)O)cc1F.
What is the InChIKey of 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol?
The InChIKey is SVNYWQNVULPTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-8(15-4)12-6-5-11(7-13(12)14)17-10(3)9(2)16/h5-10,15-16H,1-4H3.
What are the key properties of 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol?
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol has a molecular weight of 241.31 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol is sourced from PubChem (CID 107716497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).