1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one

C15H20ClNO2 — CID 43796552

IUPAC1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one
SMILESCCC1CN(C(C)C(=O)c2cccc(Cl)c2)CCO1
InChIInChI=1S/C15H20ClNO2/c1-3-14-10-17(7-8-19-14)11(2)15(18)12-5-4-6-13(16)9-12/h4-6,9,11,14H,3,7-8,10H2,1-2H3
InChIKeyZNSGLUDASTZORL-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.02
Rot. Bonds4

About 1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one

1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one (PubChem CID 43796552) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one
PubChem CID43796552
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one
SMILESCCC1CN(C(C)C(=O)c2cccc(Cl)c2)CCO1
InChIInChI=1S/C15H20ClNO2/c1-3-14-10-17(7-8-19-14)11(2)15(18)12-5-4-6-13(16)9-12/h4-6,9,11,14H,3,7-8,10H2,1-2H3
InChIKeyZNSGLUDASTZORL-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone
CID 43796611
1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63165105
1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204175
1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204933
2-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562487
1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204702
N-(3-aminophenyl)-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562298
N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562386
1-(3-chlorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propan-1-one
CID 81474736
1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one
CID 43798313
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-chlorophenyl)propan-1-one
CID 102727237
(2S)-N-cyclopropyl-2-[(2R)-2-ethylmorpholin-4-yl]propanamide
CID 95282446

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one (CID 43796552) is 1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one is CCC1CN(C(C)C(=O)c2cccc(Cl)c2)CCO1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one?
The InChIKey is ZNSGLUDASTZORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-3-14-10-17(7-8-19-14)11(2)15(18)12-5-4-6-13(16)9-12/h4-6,9,11,14H,3,7-8,10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one?
1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one has a molecular weight of 281.78 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 43796552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).