[3-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanol

C13H18FNO2 — CID 106529710

IUPAC[3-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanol
SMILESCC1CN(c2cc(F)cc(CO)c2)C(C)CO1
InChIInChI=1S/C13H18FNO2/c1-9-8-17-10(2)6-15(9)13-4-11(7-16)3-12(14)5-13/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyFFBSQXYRYODBOH-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.93
Rot. Bonds2

About [3-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanol

[3-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanol (PubChem CID 106529710) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is [3-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanol
PubChem CID106529710
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name[3-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanol
SMILESCC1CN(c2cc(F)cc(CO)c2)C(C)CO1
InChIInChI=1S/C13H18FNO2/c1-9-8-17-10(2)6-15(9)13-4-11(7-16)3-12(14)5-13/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyFFBSQXYRYODBOH-UHFFFAOYSA-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

2-[3-(5-ethyl-2-methylmorpholin-4-yl)-5-fluorophenyl]ethanamine
CID 106532708
[3-chloro-4-(2,5-dimethylmorpholin-4-yl)phenyl]methanol
CID 81152543
[2-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine
CID 43544860
5-[(dimethylamino)methyl]-1-[3-fluoro-5-(hydroxymethyl)phenyl]pyrrolidin-3-ol
CID 106529938
2-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanamine
CID 55236575
1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 106531107
N-[[4-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 43544881
1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol
CID 106836470
1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide
CID 106530891
1-[4-(2,5-dimethylmorpholin-4-yl)-3,5-difluorophenyl]butan-2-amine
CID 63786633
2-(2,5-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004241
[4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81219213

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanol?
The IUPAC name of [3-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanol (CID 106529710) is [3-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanol.
What is the SMILES notation for [3-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanol?
The canonical SMILES for [3-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanol is CC1CN(c2cc(F)cc(CO)c2)C(C)CO1.
What is the InChIKey of [3-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanol?
The InChIKey is FFBSQXYRYODBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9-8-17-10(2)6-15(9)13-4-11(7-16)3-12(14)5-13/h3-5,9-10,16H,6-8H2,1-2H3.
What are the key properties of [3-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanol?
[3-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanol 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 [3-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanol is sourced from PubChem (CID 106529710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).