1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone

C20H22FNO3 — CID 110706983

IUPAC1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone
SMILESCC1COC(Cc2ccccc2)CN1C(=O)COc1ccc(F)cc1
InChIInChI=1S/C20H22FNO3/c1-15-13-24-19(11-16-5-3-2-4-6-16)12-22(15)20(23)14-25-18-9-7-17(21)8-10-18/h2-10,15,19H,11-14H2,1H3
InChIKeyQRSLPLCXQGXUTM-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.06
Rot. Bonds5

About 1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone

1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone (PubChem CID 110706983) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone
PubChem CID110706983
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone
SMILESCC1COC(Cc2ccccc2)CN1C(=O)COc1ccc(F)cc1
InChIInChI=1S/C20H22FNO3/c1-15-13-24-19(11-16-5-3-2-4-6-16)12-22(15)20(23)14-25-18-9-7-17(21)8-10-18/h2-10,15,19H,11-14H2,1H3
InChIKeyQRSLPLCXQGXUTM-UHFFFAOYSA-N
XLogP3.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone
CID 110727667
1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one
CID 110643992
1-(2-benzyl-5-methylmorpholin-4-yl)pentan-1-one
CID 110643995
1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone
CID 110644020
(2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone
CID 110644004
(2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone
CID 110643999
1-(2,5-dimethylmorpholin-4-yl)-2-(2-fluorophenoxy)ethanone
CID 110727665
2-(4-fluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81207945
4-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethoxy]benzenecarbothioamide
CID 43544825
1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-3-phenoxypropan-1-one
CID 81212080
2-(4-anilinophenoxy)-1-[(2S,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 69299224
2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine
CID 110644096

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone (CID 110706983) is 1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone is CC1COC(Cc2ccccc2)CN1C(=O)COc1ccc(F)cc1.
What is the InChIKey of 1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone?
The InChIKey is QRSLPLCXQGXUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-15-13-24-19(11-16-5-3-2-4-6-16)12-22(15)20(23)14-25-18-9-7-17(21)8-10-18/h2-10,15,19H,11-14H2,1H3.
What are the key properties of 1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone?
1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone has a molecular weight of 343.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 110706983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).