(2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone

C15H20FNO2 — CID 62511546

IUPAC(2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCc1ccc(F)c(C(=O)N2CC(C)OC(C)(C)C2)c1
InChIInChI=1S/C15H20FNO2/c1-10-5-6-13(16)12(7-10)14(18)17-8-11(2)19-15(3,4)9-17/h5-7,11H,8-9H2,1-4H3
InChIKeySTBIHUKGQNKFTC-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.77
Rot. Bonds1

About (2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone

(2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone (PubChem CID 62511546) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
PubChem CID62511546
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCc1ccc(F)c(C(=O)N2CC(C)OC(C)(C)C2)c1
InChIInChI=1S/C15H20FNO2/c1-10-5-6-13(16)12(7-10)14(18)17-8-11(2)19-15(3,4)9-17/h5-7,11H,8-9H2,1-4H3
InChIKeySTBIHUKGQNKFTC-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-fluorophenyl)-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781270
[5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62174797
(5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
CID 120625558
(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62512522
(5-bromo-2-fluorophenyl)-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781392
(2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 114344244
[5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62174798
(2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 106853840
(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 62510549
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone
CID 114782044
[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 95619724
(2-hydrazinylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62249835

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The IUPAC name of (2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone (CID 62511546) is (2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone is Cc1ccc(F)c(C(=O)N2CC(C)OC(C)(C)C2)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The InChIKey is STBIHUKGQNKFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10-5-6-13(16)12(7-10)14(18)17-8-11(2)19-15(3,4)9-17/h5-7,11H,8-9H2,1-4H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
(2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone has a molecular weight of 265.33 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 62511546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).