(2S,3S)-2-ethyl-3-(4-fluorophenyl)-4-methylmorpholin-2-ol

C13H18FNO2 — CID 134861765

IUPAC(2S,3S)-2-ethyl-3-(4-fluorophenyl)-4-methylmorpholin-2-ol
SMILESCC[C@]1(O)OCCN(C)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-3-13(16)12(15(2)8-9-17-13)10-4-6-11(14)7-5-10/h4-7,12,16H,3,8-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyPEYSUXDCVYIIMV-STQMWFEESA-N
MW239.29 g/mol
LogP1.93
Rot. Bonds2

About (2S,3S)-2-ethyl-3-(4-fluorophenyl)-4-methylmorpholin-2-ol

(2S,3S)-2-ethyl-3-(4-fluorophenyl)-4-methylmorpholin-2-ol (PubChem CID 134861765) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is (2S,3S)-2-ethyl-3-(4-fluorophenyl)-4-methylmorpholin-2-ol.

Molecular Properties

Compound Name(2S,3S)-2-ethyl-3-(4-fluorophenyl)-4-methylmorpholin-2-ol
PubChem CID134861765
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name(2S,3S)-2-ethyl-3-(4-fluorophenyl)-4-methylmorpholin-2-ol
SMILESCC[C@]1(O)OCCN(C)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-3-13(16)12(15(2)8-9-17-13)10-4-6-11(14)7-5-10/h4-7,12,16H,3,8-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyPEYSUXDCVYIIMV-STQMWFEESA-N
XLogP1.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 199647
3-(4-Fluorophenyl)morpholine
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CID 6603251
2-Morpholin-4-yl-2-phenylethanol
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2-Methyl-1-morpholino-1-phenylpropan-2-ol
CID 46885514
1-Piperazineethanol, beta-(p-fluorophenyl)-4-methyl-
CID 202127
1-Piperidineethanol, beta-p-tolyl-
CID 202140
2-(4-Methylphenyl)-2-(morpholin-4-yl)ethan-1-ol
CID 202166
8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118746817
Aprepitant Impurity 81
CID 123159573
1-(1-Phenyl-2-oxyethyl)-1,2,5,6-tetrahydropyridine
CID 6424703
(4-Fluoro-phenyl)-morpholin-4-yl-acetic acid
CID 16243960

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-ethyl-3-(4-fluorophenyl)-4-methylmorpholin-2-ol?
The IUPAC name of (2S,3S)-2-ethyl-3-(4-fluorophenyl)-4-methylmorpholin-2-ol (CID 134861765) is (2S,3S)-2-ethyl-3-(4-fluorophenyl)-4-methylmorpholin-2-ol.
What is the SMILES notation for (2S,3S)-2-ethyl-3-(4-fluorophenyl)-4-methylmorpholin-2-ol?
The canonical SMILES for (2S,3S)-2-ethyl-3-(4-fluorophenyl)-4-methylmorpholin-2-ol is CC[C@]1(O)OCCN(C)[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2S,3S)-2-ethyl-3-(4-fluorophenyl)-4-methylmorpholin-2-ol?
The InChIKey is PEYSUXDCVYIIMV-STQMWFEESA-N. The full InChI is InChI=1S/C13H18FNO2/c1-3-13(16)12(15(2)8-9-17-13)10-4-6-11(14)7-5-10/h4-7,12,16H,3,8-9H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (2S,3S)-2-ethyl-3-(4-fluorophenyl)-4-methylmorpholin-2-ol?
(2S,3S)-2-ethyl-3-(4-fluorophenyl)-4-methylmorpholin-2-ol has a molecular weight of 239.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-ethyl-3-(4-fluorophenyl)-4-methylmorpholin-2-ol is sourced from PubChem (CID 134861765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).