(1S)-1-[5-fluoro-4-methyl-2-(2-methylthiomorpholin-4-yl)phenyl]ethanol

C14H20FNOS — CID 104871274

IUPAC(1S)-1-[5-fluoro-4-methyl-2-(2-methylthiomorpholin-4-yl)phenyl]ethanol
SMILESCc1cc(N2CCSC(C)C2)c([C@H](C)O)cc1F
InChIInChI=1S/C14H20FNOS/c1-9-6-14(12(11(3)17)7-13(9)15)16-4-5-18-10(2)8-16/h6-7,10-11,17H,4-5,8H2,1-3H3/t10?,11-/m0/s1
InChIKeyLPILPWOPPZPTRY-DTIOYNMSSA-N
MW269.38 g/mol
LogP3.13
Rot. Bonds2

About (1S)-1-[5-fluoro-4-methyl-2-(2-methylthiomorpholin-4-yl)phenyl]ethanol

(1S)-1-[5-fluoro-4-methyl-2-(2-methylthiomorpholin-4-yl)phenyl]ethanol (PubChem CID 104871274) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-4-methyl-2-(2-methylthiomorpholin-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-4-methyl-2-(2-methylthiomorpholin-4-yl)phenyl]ethanol
PubChem CID104871274
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name(1S)-1-[5-fluoro-4-methyl-2-(2-methylthiomorpholin-4-yl)phenyl]ethanol
SMILESCc1cc(N2CCSC(C)C2)c([C@H](C)O)cc1F
InChIInChI=1S/C14H20FNOS/c1-9-6-14(12(11(3)17)7-13(9)15)16-4-5-18-10(2)8-16/h6-7,10-11,17H,4-5,8H2,1-3H3/t10?,11-/m0/s1
InChIKeyLPILPWOPPZPTRY-DTIOYNMSSA-N
XLogP3.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-fluoro-2-[(1S)-1-hydroxyethyl]-5-methylphenyl]piperidin-4-yl]ethanol
CID 106836529
1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol
CID 106836488
1-[2-(3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol
CID 114411335
(1R)-1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-fluoro-4-methylphenyl]ethanol
CID 81475263
1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-5-methylphenyl]-3-methylpyrrolidin-3-ol
CID 103356738
(1S)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol
CID 102744674
(1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine
CID 104871226
1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol
CID 112626029
1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol
CID 114678954
(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methylphenyl]ethanol
CID 104969884
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol
CID 114460490
(1R)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-5-fluoro-4-methylphenyl]ethanamine
CID 104874555

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-4-methyl-2-(2-methylthiomorpholin-4-yl)phenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-4-methyl-2-(2-methylthiomorpholin-4-yl)phenyl]ethanol (CID 104871274) is (1S)-1-[5-fluoro-4-methyl-2-(2-methylthiomorpholin-4-yl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-4-methyl-2-(2-methylthiomorpholin-4-yl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-4-methyl-2-(2-methylthiomorpholin-4-yl)phenyl]ethanol is Cc1cc(N2CCSC(C)C2)c([C@H](C)O)cc1F.
What is the InChIKey of (1S)-1-[5-fluoro-4-methyl-2-(2-methylthiomorpholin-4-yl)phenyl]ethanol?
The InChIKey is LPILPWOPPZPTRY-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-9-6-14(12(11(3)17)7-13(9)15)16-4-5-18-10(2)8-16/h6-7,10-11,17H,4-5,8H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-4-methyl-2-(2-methylthiomorpholin-4-yl)phenyl]ethanol?
(1S)-1-[5-fluoro-4-methyl-2-(2-methylthiomorpholin-4-yl)phenyl]ethanol has a molecular weight of 269.38 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-4-methyl-2-(2-methylthiomorpholin-4-yl)phenyl]ethanol is sourced from PubChem (CID 104871274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).