1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropan-1-ol

C16H24FNO3 — CID 115997195

IUPAC1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropan-1-ol
SMILESCC(CN1CC(CO)OCC1C)C(O)c1ccccc1F
InChIInChI=1S/C16H24FNO3/c1-11(16(20)14-5-3-4-6-15(14)17)7-18-8-13(9-19)21-10-12(18)2/h3-6,11-13,16,19-20H,7-10H2,1-2H3
InChIKeyOTSQVFGGAGHORI-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.58
Rot. Bonds5

About 1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropan-1-ol

1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropan-1-ol (PubChem CID 115997195) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropan-1-ol
PubChem CID115997195
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropan-1-ol
SMILESCC(CN1CC(CO)OCC1C)C(O)c1ccccc1F
InChIInChI=1S/C16H24FNO3/c1-11(16(20)14-5-3-4-6-15(14)17)7-18-8-13(9-19)21-10-12(18)2/h3-6,11-13,16,19-20H,7-10H2,1-2H3
InChIKeyOTSQVFGGAGHORI-UHFFFAOYSA-N
XLogP1.58
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropan-1-ol (CID 115997195) is 1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropan-1-ol is CC(CN1CC(CO)OCC1C)C(O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropan-1-ol?
The InChIKey is OTSQVFGGAGHORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-11(16(20)14-5-3-4-6-15(14)17)7-18-8-13(9-19)21-10-12(18)2/h3-6,11-13,16,19-20H,7-10H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropan-1-ol?
1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropan-1-ol has a molecular weight of 297.37 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 115997195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).