3-(3,4-dichlorophenyl)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one

C15H19Cl2NO2 — CID 110304613

IUPAC3-(3,4-dichlorophenyl)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1(C)COCCN1C(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2NO2/c1-15(2)10-20-8-7-18(15)14(19)6-4-11-3-5-12(16)13(17)9-11/h3,5,9H,4,6-8,10H2,1-2H3
InChIKeySTLYCETXCHBBQA-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.56
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one

3-(3,4-dichlorophenyl)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 110304613) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
PubChem CID110304613
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name3-(3,4-dichlorophenyl)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1(C)COCCN1C(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2NO2/c1-15(2)10-20-8-7-18(15)14(19)6-4-11-3-5-12(16)13(17)9-11/h3,5,9H,4,6-8,10H2,1-2H3
InChIKeySTLYCETXCHBBQA-UHFFFAOYSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one
CID 110421813
1-(2-chlorophenyl)-4-(3,3-dimethylmorpholin-4-yl)butane-1,4-dione
CID 110624363
3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine
CID 145472486
(2-chloro-5-nitrophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 61225860
1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one
CID 110740632
(3-chloro-2-nitrophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 79841343
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
3-(3-aminophenoxy)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 61428266
1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione
CID 110624362
3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one
CID 139029147
(3-chloro-4-nitrophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 82781748
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one (CID 110304613) is 3-(3,4-dichlorophenyl)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one is CC1(C)COCCN1C(=O)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is STLYCETXCHBBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-15(2)10-20-8-7-18(15)14(19)6-4-11-3-5-12(16)13(17)9-11/h3,5,9H,4,6-8,10H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one?
3-(3,4-dichlorophenyl)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 316.23 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 110304613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).