[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone

C20H22FNO2 — CID 110327513

IUPAC[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CC(c3ccc(F)cc3)OCC2(C)C)c1
InChIInChI=1S/C20H22FNO2/c1-14-5-4-6-16(11-14)19(23)22-12-18(24-13-20(22,2)3)15-7-9-17(21)10-8-15/h4-11,18H,12-13H2,1-3H3
InChIKeyZGPFUTOMDMGICB-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.13
Rot. Bonds2

About [2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone

[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone (PubChem CID 110327513) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
PubChem CID110327513
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CC(c3ccc(F)cc3)OCC2(C)C)c1
InChIInChI=1S/C20H22FNO2/c1-14-5-4-6-16(11-14)19(23)22-12-18(24-13-20(22,2)3)15-7-9-17(21)10-8-15/h4-11,18H,12-13H2,1-3H3
InChIKeyZGPFUTOMDMGICB-UHFFFAOYSA-N
XLogP4.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110327516
(3,4-dimethoxyphenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110327523
(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone
CID 110327302
1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110327442
phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate
CID 110327554
1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one
CID 110327504
1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pentan-1-one
CID 110327503
(2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone
CID 110327316
[5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(3-methylphenyl)methanone
CID 110369456
1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110358398
[3-(4-fluorophenyl)azepan-1-yl]-(3-methylphenyl)methanone
CID 90608748
(E)-4-amino-1-[2-(3-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pent-2-en-1-one
CID 167839223

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone?
The IUPAC name of [2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone (CID 110327513) is [2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CC(c3ccc(F)cc3)OCC2(C)C)c1.
What is the InChIKey of [2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone?
The InChIKey is ZGPFUTOMDMGICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-14-5-4-6-16(11-14)19(23)22-12-18(24-13-20(22,2)3)15-7-9-17(21)10-8-15/h4-11,18H,12-13H2,1-3H3.
What are the key properties of [2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone?
[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone has a molecular weight of 327.40 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 110327513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).