1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one

C16H22ClNO2 — CID 110327064

IUPAC1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H22ClNO2/c1-3-12(4-2)16(19)18-9-10-20-15(11-18)13-5-7-14(17)8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3
InChIKeyONUOOHVJFFHVKW-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.68
Rot. Bonds4

About 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one

1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one (PubChem CID 110327064) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one
PubChem CID110327064
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H22ClNO2/c1-3-12(4-2)16(19)18-9-10-20-15(11-18)13-5-7-14(17)8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3
InChIKeyONUOOHVJFFHVKW-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 60963891
(2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 107569033
4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one
CID 80543163
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpentan-1-one
CID 104684562
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-phenylethanone
CID 119290568
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]hexan-1-one
CID 82849703
(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95196647
2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 55982913

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one?
The IUPAC name of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one (CID 110327064) is 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one is CCC(CC)C(=O)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one?
The InChIKey is ONUOOHVJFFHVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-3-12(4-2)16(19)18-9-10-20-15(11-18)13-5-7-14(17)8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one?
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one has a molecular weight of 295.81 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one is sourced from PubChem (CID 110327064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).