1-[2-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol

C13H20FNO2 — CID 114059130

IUPAC1-[2-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
SMILESCCN(CCOC)c1c(F)cccc1C(C)O
InChIInChI=1S/C13H20FNO2/c1-4-15(8-9-17-3)13-11(10(2)16)6-5-7-12(13)14/h5-7,10,16H,4,8-9H2,1-3H3
InChIKeyWMWUNJSZLXIRTF-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.35
Rot. Bonds6

About 1-[2-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol

1-[2-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol (PubChem CID 114059130) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-[2-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
PubChem CID114059130
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-[2-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
SMILESCCN(CCOC)c1c(F)cccc1C(C)O
InChIInChI=1S/C13H20FNO2/c1-4-15(8-9-17-3)13-11(10(2)16)6-5-7-12(13)14/h5-7,10,16H,4,8-9H2,1-3H3
InChIKeyWMWUNJSZLXIRTF-UHFFFAOYSA-N
XLogP2.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol
CID 114059235
1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol
CID 114059089
(1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol
CID 78940044
3-fluoro-2-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid
CID 55101867
N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine
CID 28792510
N-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline
CID 61446087
[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol
CID 114067502
3-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid
CID 62648719
1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 115997200
(1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 63371146
(1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol
CID 55226911
1-[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
CID 114058464

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol (CID 114059130) is 1-[2-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol is CCN(CCOC)c1c(F)cccc1C(C)O.
What is the InChIKey of 1-[2-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol?
The InChIKey is WMWUNJSZLXIRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-4-15(8-9-17-3)13-11(10(2)16)6-5-7-12(13)14/h5-7,10,16H,4,8-9H2,1-3H3.
What are the key properties of 1-[2-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol?
1-[2-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol has a molecular weight of 241.31 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol is sourced from PubChem (CID 114059130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).