(3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone

C15H21NO2 — CID 79667186

IUPAC(3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone
SMILESCCN1CCOC(C(=O)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C15H21NO2/c1-4-16-5-6-18-14(10-16)15(17)13-8-11(2)7-12(3)9-13/h7-9,14H,4-6,10H2,1-3H3
InChIKeyGYPPPWFDVYOUNF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.21
Rot. Bonds3

About (3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone

(3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone (PubChem CID 79667186) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone
PubChem CID79667186
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone
SMILESCCN1CCOC(C(=O)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C15H21NO2/c1-4-16-5-6-18-14(10-16)15(17)13-8-11(2)7-12(3)9-13/h7-9,14H,4-6,10H2,1-3H3
InChIKeyGYPPPWFDVYOUNF-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 79705374
(4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone
CID 79666580
(2,3-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone
CID 79666423
(5-methyl-3-pyridinyl)-(4-propylmorpholin-2-yl)methanone
CID 113297079
4-ethylmorpholine-2-carboxylate
CID 127053688
1-(4-ethylmorpholin-2-yl)-2-(4-methylphenyl)ethanone
CID 79666250
(1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone
CID 79669008
2-(2-chloro-4-methylphenyl)-1-(4-ethylmorpholin-2-yl)ethanone
CID 106867039
2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668855
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
(4-amino-3-pyridinyl)-(4-ethylmorpholin-2-yl)methanone
CID 79666844
(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone
CID 114641456

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone?
The IUPAC name of (3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone (CID 79667186) is (3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone?
The canonical SMILES for (3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone is CCN1CCOC(C(=O)c2cc(C)cc(C)c2)C1.
What is the InChIKey of (3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone?
The InChIKey is GYPPPWFDVYOUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-16-5-6-18-14(10-16)15(17)13-8-11(2)7-12(3)9-13/h7-9,14H,4-6,10H2,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone?
(3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone is sourced from PubChem (CID 79667186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).