2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol

C13H18FNO2 — CID 79087183

IUPAC2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
SMILESCN1CCOC(C(O)Cc2cccc(F)c2)C1
InChIInChI=1S/C13H18FNO2/c1-15-5-6-17-13(9-15)12(16)8-10-3-2-4-11(14)7-10/h2-4,7,12-13,16H,5-6,8-9H2,1H3
InChIKeyPXRZMOULYRMXDW-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.06
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol

2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol (PubChem CID 79087183) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
PubChem CID79087183
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
SMILESCN1CCOC(C(O)Cc2cccc(F)c2)C1
InChIInChI=1S/C13H18FNO2/c1-15-5-6-17-13(9-15)12(16)8-10-3-2-4-11(14)7-10/h2-4,7,12-13,16H,5-6,8-9H2,1H3
InChIKeyPXRZMOULYRMXDW-UHFFFAOYSA-N
XLogP1.06
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 79086890
2-(4-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 114012662
1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol
CID 65351287
2-(2-amino-4-pyridinyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 79087290
2-(4-tert-butylphenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 79086894
1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 79093150
2-(3-chlorophenyl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 79666850
1-(4-ethylmorpholin-2-yl)-2-(3-fluorophenyl)ethanamine
CID 79666865
2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665184
2-(3,4-difluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 82919753
(4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544706
N-ethyl-2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanamine
CID 79663996

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol?
The IUPAC name of 2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol (CID 79087183) is 2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol?
The canonical SMILES for 2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol is CN1CCOC(C(O)Cc2cccc(F)c2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol?
The InChIKey is PXRZMOULYRMXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-15-5-6-17-13(9-15)12(16)8-10-3-2-4-11(14)7-10/h2-4,7,12-13,16H,5-6,8-9H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol?
2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol has a molecular weight of 239.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol is sourced from PubChem (CID 79087183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).