3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol

C13H20FNO2 — CID 114059235

IUPAC3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol
SMILESCCN(CCCO)c1c(F)cccc1[C@@H](C)O
InChIInChI=1S/C13H20FNO2/c1-3-15(8-5-9-16)13-11(10(2)17)6-4-7-12(13)14/h4,6-7,10,16-17H,3,5,8-9H2,1-2H3/t10-/m1/s1
InChIKeyXPECIJJELLQEPB-SNVBAGLBSA-N
MW241.31 g/mol
LogP2.09
Rot. Bonds6

About 3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol

3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol (PubChem CID 114059235) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol.

Molecular Properties

Compound Name3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol
PubChem CID114059235
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol
SMILESCCN(CCCO)c1c(F)cccc1[C@@H](C)O
InChIInChI=1S/C13H20FNO2/c1-3-15(8-5-9-16)13-11(10(2)17)6-4-7-12(13)14/h4,6-7,10,16-17H,3,5,8-9H2,1-2H3/t10-/m1/s1
InChIKeyXPECIJJELLQEPB-SNVBAGLBSA-N
XLogP2.09
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 114059130
N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine
CID 28792510
1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol
CID 114059089
(1R)-1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanol
CID 63371083
3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol
CID 113468603
2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol
CID 114068232
2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide
CID 114059093
3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol
CID 104861804
3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol
CID 107105813
3-(3-amino-N-ethylanilino)propan-1-ol
CID 63229758
3-[2-fluoro-6-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
CID 114068300
N-ethyl-2-[1-(ethylamino)ethyl]-6-fluoro-N-prop-2-enylaniline
CID 114058766

Frequently Asked Questions

What is the IUPAC name of 3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol?
The IUPAC name of 3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol (CID 114059235) is 3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol.
What is the SMILES notation for 3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol?
The canonical SMILES for 3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol is CCN(CCCO)c1c(F)cccc1[C@@H](C)O.
What is the InChIKey of 3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol?
The InChIKey is XPECIJJELLQEPB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-3-15(8-5-9-16)13-11(10(2)17)6-4-7-12(13)14/h4,6-7,10,16-17H,3,5,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of 3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol?
3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol has a molecular weight of 241.31 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol is sourced from PubChem (CID 114059235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).