1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(2-fluorophenoxy)ethanone;formic acid

C16H23FN2O5 — CID 71785953

IUPAC1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(2-fluorophenoxy)ethanone;formic acid
SMILESCN(C)CC1COCCN1C(=O)COc1ccccc1F.O=CO
InChIInChI=1S/C15H21FN2O3.CH2O2/c1-17(2)9-12-10-20-8-7-18(12)15(19)11-21-14-6-4-3-5-13(14)16;2-1-3/h3-6,12H,7-11H2,1-2H3;1H,(H,2,3)
InChIKeyYOUNSXLPIBXXCQ-UHFFFAOYSA-N
MW342.37 g/mol
LogP0.69
Rot. Bonds5

About 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(2-fluorophenoxy)ethanone;formic acid

1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(2-fluorophenoxy)ethanone;formic acid (PubChem CID 71785953) has the molecular formula C16H23FN2O5 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(2-fluorophenoxy)ethanone;formic acid.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(2-fluorophenoxy)ethanone;formic acid
PubChem CID71785953
Molecular FormulaC16H23FN2O5
Molecular Weight342.37 g/mol
Exact Mass342.16
IUPAC Name1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(2-fluorophenoxy)ethanone;formic acid
SMILESCN(C)CC1COCCN1C(=O)COc1ccccc1F.O=CO
InChIInChI=1S/C15H21FN2O3.CH2O2/c1-17(2)9-12-10-20-8-7-18(12)15(19)11-21-14-6-4-3-5-13(14)16;2-1-3/h3-6,12H,7-11H2,1-2H3;1H,(H,2,3)
InChIKeyYOUNSXLPIBXXCQ-UHFFFAOYSA-N
XLogP0.69
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(2-fluorophenoxy)ethanone;formic acid?
The IUPAC name of 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(2-fluorophenoxy)ethanone;formic acid (CID 71785953) is 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(2-fluorophenoxy)ethanone;formic acid.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(2-fluorophenoxy)ethanone;formic acid?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(2-fluorophenoxy)ethanone;formic acid is CN(C)CC1COCCN1C(=O)COc1ccccc1F.O=CO.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(2-fluorophenoxy)ethanone;formic acid?
The InChIKey is YOUNSXLPIBXXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3.CH2O2/c1-17(2)9-12-10-20-8-7-18(12)15(19)11-21-14-6-4-3-5-13(14)16;2-1-3/h3-6,12H,7-11H2,1-2H3;1H,(H,2,3).
What are the key properties of 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(2-fluorophenoxy)ethanone;formic acid?
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(2-fluorophenoxy)ethanone;formic acid has a molecular weight of 342.37 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(2-fluorophenoxy)ethanone;formic acid is sourced from PubChem (CID 71785953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).