1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride

C15H22ClFN2O3 — CID 171699942

IUPAC1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCOC(CO)(Cc2ccc(F)cc2)C1.Cl
InChIInChI=1S/C15H21FN2O3.ClH/c1-17-9-14(20)18-6-7-21-15(10-18,11-19)8-12-2-4-13(16)5-3-12;/h2-5,17,19H,6-11H2,1H3;1H
InChIKeyDEXFMSDELKPRPC-UHFFFAOYSA-N
MW332.80 g/mol
LogP0.60
Rot. Bonds5

About 1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride

1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride (PubChem CID 171699942) has the molecular formula C15H22ClFN2O3 and a molecular weight of 332.80 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
PubChem CID171699942
Molecular FormulaC15H22ClFN2O3
Molecular Weight332.80 g/mol
Exact Mass332.13
IUPAC Name1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCOC(CO)(Cc2ccc(F)cc2)C1.Cl
InChIInChI=1S/C15H21FN2O3.ClH/c1-17-9-14(20)18-6-7-21-15(10-18,11-19)8-12-2-4-13(16)5-3-12;/h2-5,17,19H,6-11H2,1H3;1H
InChIKeyDEXFMSDELKPRPC-UHFFFAOYSA-N
XLogP0.60
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride 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-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride (CID 171699942) is 1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride is CNCC(=O)N1CCOC(CO)(Cc2ccc(F)cc2)C1.Cl.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride?
The InChIKey is DEXFMSDELKPRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3.ClH/c1-17-9-14(20)18-6-7-21-15(10-18,11-19)8-12-2-4-13(16)5-3-12;/h2-5,17,19H,6-11H2,1H3;1H.
What are the key properties of 1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride?
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride has a molecular weight of 332.80 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride is sourced from PubChem (CID 171699942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).