1-[2-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol

C14H20FNO2 — CID 114059102

IUPAC1-[2-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol
SMILESCC1CN(c2c(F)cccc2C(C)O)C(C)CO1
InChIInChI=1S/C14H20FNO2/c1-9-8-18-10(2)7-16(9)14-12(11(3)17)5-4-6-13(14)15/h4-6,9-11,17H,7-8H2,1-3H3
InChIKeyCXTSWWQDLYGWHW-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.49
Rot. Bonds2

About 1-[2-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol

1-[2-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol (PubChem CID 114059102) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol
PubChem CID114059102
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[2-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol
SMILESCC1CN(c2c(F)cccc2C(C)O)C(C)CO1
InChIInChI=1S/C14H20FNO2/c1-9-8-18-10(2)7-16(9)14-12(11(3)17)5-4-6-13(14)15/h4-6,9-11,17H,7-8H2,1-3H3
InChIKeyCXTSWWQDLYGWHW-UHFFFAOYSA-N
XLogP2.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(2,5-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 55185193
1-[3-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol
CID 114059166
1-[2-fluoro-6-(1-hydroxyethyl)phenyl]pyrrolidine-3,4-diol
CID 114059264
1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 43544807
(1R)-1-[3-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanol
CID 114059199
(1R)-1-[2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-1-ol
CID 113358942
(1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol
CID 114059063
4-[2-fluoro-6-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one
CID 114059174
1-[3-fluoro-2-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol
CID 114059212
(1S)-1-[3-fluoro-2-(3-methylmorpholin-4-yl)phenyl]ethanamine
CID 114058638
4-(2,5-dimethylmorpholin-4-yl)-3,5-difluorobenzonitrile
CID 81283111
1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanol
CID 175324243

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol?
The IUPAC name of 1-[2-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol (CID 114059102) is 1-[2-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol is CC1CN(c2c(F)cccc2C(C)O)C(C)CO1.
What is the InChIKey of 1-[2-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol?
The InChIKey is CXTSWWQDLYGWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9-8-18-10(2)7-16(9)14-12(11(3)17)5-4-6-13(14)15/h4-6,9-11,17H,7-8H2,1-3H3.
What are the key properties of 1-[2-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol?
1-[2-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol has a molecular weight of 253.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol is sourced from PubChem (CID 114059102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).