1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone

C14H19ClN2O2 — CID 95205970

IUPAC1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClN2O2/c1-16(2)10-14(18)17-7-8-19-13(9-17)11-3-5-12(15)6-4-11/h3-6,13H,7-10H2,1-2H3/t13-/m1/s1
InChIKeyBRUBBEKXHNFSJG-CYBMUJFWSA-N
MW282.77 g/mol
LogP1.80
Rot. Bonds3

About 1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone

1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone (PubChem CID 95205970) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
PubChem CID95205970
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClN2O2/c1-16(2)10-14(18)17-7-8-19-13(9-17)11-3-5-12(15)6-4-11/h3-6,13H,7-10H2,1-2H3/t13-/m1/s1
InChIKeyBRUBBEKXHNFSJG-CYBMUJFWSA-N
XLogP1.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 87042020
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 56741046
1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 95554855
1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione
CID 110356660
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone
CID 56757034
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone
CID 95197348
5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 95358094
2-anilino-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119725525
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]hexan-1-one
CID 82849703
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one
CID 110327064

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone (CID 95205970) is 1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone is CN(C)CC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone?
The InChIKey is BRUBBEKXHNFSJG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-16(2)10-14(18)17-7-8-19-13(9-17)11-3-5-12(15)6-4-11/h3-6,13H,7-10H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone?
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone has a molecular weight of 282.77 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 95205970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).