(2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone

C14H18FNO2 — CID 79771017

IUPAC(2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC(C)OCC2C)c(F)c1
InChIInChI=1S/C14H18FNO2/c1-9-4-5-12(13(15)6-9)14(17)16-7-11(3)18-8-10(16)2/h4-6,10-11H,7-8H2,1-3H3
InChIKeyGSKSKXRHBAUCEB-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.38
Rot. Bonds1

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

(2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone (PubChem CID 79771017) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone
PubChem CID79771017
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC(C)OCC2C)c(F)c1
InChIInChI=1S/C14H18FNO2/c1-9-4-5-12(13(15)6-9)14(17)16-7-11(3)18-8-10(16)2/h4-6,10-11H,7-8H2,1-3H3
InChIKeyGSKSKXRHBAUCEB-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103887571
1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 79777604
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 113322480
(2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 61095610
(5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103295933
(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 98672593
(2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 128927247
(2,5-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methanone
CID 110727631
(4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119729193
(2-fluoro-4-methylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472703
(2,5-dimethylmorpholin-4-yl)-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60821084
[4-(dimethylamino)-2-fluorophenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 75436702

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone?
The IUPAC name of (2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone (CID 79771017) is (2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for (2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone?
The canonical SMILES for (2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CC(C)OCC2C)c(F)c1.
What is the InChIKey of (2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone?
The InChIKey is GSKSKXRHBAUCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9-4-5-12(13(15)6-9)14(17)16-7-11(3)18-8-10(16)2/h4-6,10-11H,7-8H2,1-3H3.
What are the key properties of (2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone?
(2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone has a molecular weight of 251.30 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 79771017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).