(4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone

C14H18FNO2 — CID 79705374

IUPAC(4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone
SMILESCCN1CCOC(C(=O)c2cc(C)cc(F)c2)C1
InChIInChI=1S/C14H18FNO2/c1-3-16-4-5-18-13(9-16)14(17)11-6-10(2)7-12(15)8-11/h6-8,13H,3-5,9H2,1-2H3
InChIKeyLQYAVRHBNCKCPU-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.04
Rot. Bonds3

About (4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone

(4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone (PubChem CID 79705374) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone
PubChem CID79705374
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone
SMILESCCN1CCOC(C(=O)c2cc(C)cc(F)c2)C1
InChIInChI=1S/C14H18FNO2/c1-3-16-4-5-18-13(9-16)14(17)11-6-10(2)7-12(15)8-11/h6-8,13H,3-5,9H2,1-2H3
InChIKeyLQYAVRHBNCKCPU-UHFFFAOYSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone
CID 79667186
(4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone
CID 79666580
1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347306
(2,3-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone
CID 79666423
(5-methyl-3-pyridinyl)-(4-propylmorpholin-2-yl)methanone
CID 113297079
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-fluoro-5-methylphenyl)methanone
CID 79704810
4-ethylmorpholine-2-carboxylate
CID 127053688
1-(4-ethylmorpholin-2-yl)-2-(4-methylphenyl)ethanone
CID 79666250
2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone
CID 79667003
(2,4-difluorophenyl)-(4-propylmorpholin-2-yl)methanone
CID 79669007
(2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone
CID 82822768
2-(2-chloro-4-methylphenyl)-1-(4-ethylmorpholin-2-yl)ethanone
CID 106867039

Frequently Asked Questions

What is the IUPAC name of (4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone?
The IUPAC name of (4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone (CID 79705374) is (4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone is CCN1CCOC(C(=O)c2cc(C)cc(F)c2)C1.
What is the InChIKey of (4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone?
The InChIKey is LQYAVRHBNCKCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-3-16-4-5-18-13(9-16)14(17)11-6-10(2)7-12(15)8-11/h6-8,13H,3-5,9H2,1-2H3.
What are the key properties of (4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone?
(4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone has a molecular weight of 251.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 79705374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).