1-[2-[(2,6-dimethylphenyl)methoxymethyl]morpholin-4-yl]-2-(3-fluorophenyl)ethanone

C22H26FNO3 — CID 67989159

IUPAC1-[2-[(2,6-dimethylphenyl)methoxymethyl]morpholin-4-yl]-2-(3-fluorophenyl)ethanone
SMILESCc1cccc(C)c1COCC1CN(C(=O)Cc2cccc(F)c2)CCO1
InChIInChI=1S/C22H26FNO3/c1-16-5-3-6-17(2)21(16)15-26-14-20-13-24(9-10-27-20)22(25)12-18-7-4-8-19(23)11-18/h3-8,11,20H,9-10,12-15H2,1-2H3
InChIKeyVNNJAIZXFQOWQE-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.43
Rot. Bonds6

About 1-[2-[(2,6-dimethylphenyl)methoxymethyl]morpholin-4-yl]-2-(3-fluorophenyl)ethanone

1-[2-[(2,6-dimethylphenyl)methoxymethyl]morpholin-4-yl]-2-(3-fluorophenyl)ethanone (PubChem CID 67989159) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is 1-[2-[(2,6-dimethylphenyl)methoxymethyl]morpholin-4-yl]-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-[(2,6-dimethylphenyl)methoxymethyl]morpholin-4-yl]-2-(3-fluorophenyl)ethanone
PubChem CID67989159
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name1-[2-[(2,6-dimethylphenyl)methoxymethyl]morpholin-4-yl]-2-(3-fluorophenyl)ethanone
SMILESCc1cccc(C)c1COCC1CN(C(=O)Cc2cccc(F)c2)CCO1
InChIInChI=1S/C22H26FNO3/c1-16-5-3-6-17(2)21(16)15-26-14-20-13-24(9-10-27-20)22(25)12-18-7-4-8-19(23)11-18/h3-8,11,20H,9-10,12-15H2,1-2H3
InChIKeyVNNJAIZXFQOWQE-UHFFFAOYSA-N
XLogP3.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(2,6-dimethylphenyl)methoxymethyl]morpholin-4-yl]-2-(3-fluorophenyl)ethanone 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-[(2,6-dimethylphenyl)methoxymethyl]morpholin-4-yl]-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-[2-[(2,6-dimethylphenyl)methoxymethyl]morpholin-4-yl]-2-(3-fluorophenyl)ethanone (CID 67989159) is 1-[2-[(2,6-dimethylphenyl)methoxymethyl]morpholin-4-yl]-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-[2-[(2,6-dimethylphenyl)methoxymethyl]morpholin-4-yl]-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-[2-[(2,6-dimethylphenyl)methoxymethyl]morpholin-4-yl]-2-(3-fluorophenyl)ethanone is Cc1cccc(C)c1COCC1CN(C(=O)Cc2cccc(F)c2)CCO1.
What is the InChIKey of 1-[2-[(2,6-dimethylphenyl)methoxymethyl]morpholin-4-yl]-2-(3-fluorophenyl)ethanone?
The InChIKey is VNNJAIZXFQOWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3/c1-16-5-3-6-17(2)21(16)15-26-14-20-13-24(9-10-27-20)22(25)12-18-7-4-8-19(23)11-18/h3-8,11,20H,9-10,12-15H2,1-2H3.
What are the key properties of 1-[2-[(2,6-dimethylphenyl)methoxymethyl]morpholin-4-yl]-2-(3-fluorophenyl)ethanone?
1-[2-[(2,6-dimethylphenyl)methoxymethyl]morpholin-4-yl]-2-(3-fluorophenyl)ethanone has a molecular weight of 371.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,6-dimethylphenyl)methoxymethyl]morpholin-4-yl]-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 67989159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).