(1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol

C14H20FNO2 — CID 78939704

IUPAC(1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
SMILESCCC1CN(c2ccc([C@H](C)O)cc2F)CCO1
InChIInChI=1S/C14H20FNO2/c1-3-12-9-16(6-7-18-12)14-5-4-11(10(2)17)8-13(14)15/h4-5,8,10,12,17H,3,6-7,9H2,1-2H3/t10-,12?/m0/s1
InChIKeyIJSZPVMOTOOMFM-NUHJPDEHSA-N
MW253.32 g/mol
LogP2.49
Rot. Bonds3

About (1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol

(1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol (PubChem CID 78939704) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is (1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
PubChem CID78939704
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name(1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
SMILESCCC1CN(c2ccc([C@H](C)O)cc2F)CCO1
InChIInChI=1S/C14H20FNO2/c1-3-12-9-16(6-7-18-12)14-5-4-11(10(2)17)8-13(14)15/h4-5,8,10,12,17H,3,6-7,9H2,1-2H3/t10-,12?/m0/s1
InChIKeyIJSZPVMOTOOMFM-NUHJPDEHSA-N
XLogP2.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide
CID 43658320
(1R)-1-[3-chloro-4-(2-ethylmorpholin-4-yl)phenyl]ethanamine
CID 63369544
1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol
CID 79188918
(1R)-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941064
1-[1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836510
2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde
CID 43562829
(1S)-1-[3-fluoro-4-(2-methylmorpholin-4-yl)phenyl]ethanamine
CID 55191172
1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol
CID 43506027
(1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 78939791
2-(2-ethylmorpholin-4-yl)-4-fluoroaniline
CID 62377461
1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 43505896
(1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939132

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol (CID 78939704) is (1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol is CCC1CN(c2ccc([C@H](C)O)cc2F)CCO1.
What is the InChIKey of (1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol?
The InChIKey is IJSZPVMOTOOMFM-NUHJPDEHSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-12-9-16(6-7-18-12)14-5-4-11(10(2)17)8-13(14)15/h4-5,8,10,12,17H,3,6-7,9H2,1-2H3/t10-,12?/m0/s1.
What are the key properties of (1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol?
(1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol has a molecular weight of 253.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol is sourced from PubChem (CID 78939704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).