(1S)-1-[2-(3-ethylmorpholin-4-yl)-6-fluorophenyl]ethanol

C14H20FNO2 — CID 78939877

IUPAC(1S)-1-[2-(3-ethylmorpholin-4-yl)-6-fluorophenyl]ethanol
SMILESCCC1COCCN1c1cccc(F)c1[C@H](C)O
InChIInChI=1S/C14H20FNO2/c1-3-11-9-18-8-7-16(11)13-6-4-5-12(15)14(13)10(2)17/h4-6,10-11,17H,3,7-9H2,1-2H3/t10-,11?/m0/s1
InChIKeyZCXHSHAPWYNIRG-VUWPPUDQSA-N
MW253.32 g/mol
LogP2.49
Rot. Bonds3

About (1S)-1-[2-(3-ethylmorpholin-4-yl)-6-fluorophenyl]ethanol

(1S)-1-[2-(3-ethylmorpholin-4-yl)-6-fluorophenyl]ethanol (PubChem CID 78939877) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is (1S)-1-[2-(3-ethylmorpholin-4-yl)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(3-ethylmorpholin-4-yl)-6-fluorophenyl]ethanol
PubChem CID78939877
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name(1S)-1-[2-(3-ethylmorpholin-4-yl)-6-fluorophenyl]ethanol
SMILESCCC1COCCN1c1cccc(F)c1[C@H](C)O
InChIInChI=1S/C14H20FNO2/c1-3-11-9-18-8-7-16(11)13-6-4-5-12(15)14(13)10(2)17/h4-6,10-11,17H,3,7-9H2,1-2H3/t10-,11?/m0/s1
InChIKeyZCXHSHAPWYNIRG-VUWPPUDQSA-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

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Related Compounds

(1S)-1-[2-fluoro-6-[3-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol
CID 104877438
4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]morpholine-3-carboxamide
CID 83095812
(1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 78939791
1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol
CID 116635301
(1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol
CID 55183017
(1R)-1-[4-(3-ethylmorpholin-4-yl)phenyl]ethanol
CID 78939798
4-[2-(bromomethyl)phenyl]-3-ethylmorpholine
CID 107080607
1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 61421255
3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 78940988
1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone
CID 5325728
1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol
CID 60974750
(1R)-1-[2-(2,5-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 55185193

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3-ethylmorpholin-4-yl)-6-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(3-ethylmorpholin-4-yl)-6-fluorophenyl]ethanol (CID 78939877) is (1S)-1-[2-(3-ethylmorpholin-4-yl)-6-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(3-ethylmorpholin-4-yl)-6-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(3-ethylmorpholin-4-yl)-6-fluorophenyl]ethanol is CCC1COCCN1c1cccc(F)c1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-(3-ethylmorpholin-4-yl)-6-fluorophenyl]ethanol?
The InChIKey is ZCXHSHAPWYNIRG-VUWPPUDQSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-11-9-18-8-7-16(11)13-6-4-5-12(15)14(13)10(2)17/h4-6,10-11,17H,3,7-9H2,1-2H3/t10-,11?/m0/s1.
What are the key properties of (1S)-1-[2-(3-ethylmorpholin-4-yl)-6-fluorophenyl]ethanol?
(1S)-1-[2-(3-ethylmorpholin-4-yl)-6-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-[2-(3-ethylmorpholin-4-yl)-6-fluorophenyl]ethanol is sourced from PubChem (CID 78939877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).