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

C14H20FNO2 — CID 78940058

IUPAC(1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1N1CCOCC1(C)C
InChIInChI=1S/C14H20FNO2/c1-10(17)12-8-11(15)4-5-13(12)16-6-7-18-9-14(16,2)3/h4-5,8,10,17H,6-7,9H2,1-3H3/t10-/m0/s1
InChIKeyDEGBJLMFPSGZKN-JTQLQIEISA-N
MW253.32 g/mol
LogP2.49
Rot. Bonds2

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

(1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol (PubChem CID 78940058) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is (1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol
PubChem CID78940058
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name(1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1N1CCOCC1(C)C
InChIInChI=1S/C14H20FNO2/c1-10(17)12-8-11(15)4-5-13(12)16-6-7-18-9-14(16,2)3/h4-5,8,10,17H,6-7,9H2,1-3H3/t10-/m0/s1
InChIKeyDEGBJLMFPSGZKN-JTQLQIEISA-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-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol
CID 63371183
1-[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]ethanol
CID 55161928
4-[2-(bromomethyl)-4-fluorophenyl]-3,3-dimethylmorpholine
CID 107081189
[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine
CID 61433103
4-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one
CID 78946531
1-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol
CID 81097570
1-[4-(3,3-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanone
CID 61432978
1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
CID 107520066
(1S)-1-[5-fluoro-2-(4-methyl-1,4-diazepan-1-yl)phenyl]ethanol
CID 78939384
(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol
CID 104969871
(1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol
CID 63371801
(1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanamine
CID 55191185

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol (CID 78940058) is (1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol is C[C@H](O)c1cc(F)ccc1N1CCOCC1(C)C.
What is the InChIKey of (1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol?
The InChIKey is DEGBJLMFPSGZKN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10(17)12-8-11(15)4-5-13(12)16-6-7-18-9-14(16,2)3/h4-5,8,10,17H,6-7,9H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol?
(1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-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 (1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol is sourced from PubChem (CID 78940058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).