1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one

C19H27Cl2NO2 — CID 19823718

IUPAC1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one
SMILESCOC(C)CCC(=O)C(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C19H27Cl2NO2/c1-13(24-4)6-9-17(23)18(22(2)3)19(10-5-11-19)14-7-8-15(20)16(21)12-14/h7-8,12-13,18H,5-6,9-11H2,1-4H3
InChIKeyFNEYHOCYPPBFGM-UHFFFAOYSA-N
MW372.34 g/mol
LogP4.73
Rot. Bonds8

About 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one

1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one (PubChem CID 19823718) has the molecular formula C19H27Cl2NO2 and a molecular weight of 372.34 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one
PubChem CID19823718
Molecular FormulaC19H27Cl2NO2
Molecular Weight372.34 g/mol
Exact Mass371.14
IUPAC Name1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one
SMILESCOC(C)CCC(=O)C(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C19H27Cl2NO2/c1-13(24-4)6-9-17(23)18(22(2)3)19(10-5-11-19)14-7-8-15(20)16(21)12-14/h7-8,12-13,18H,5-6,9-11H2,1-4H3
InChIKeyFNEYHOCYPPBFGM-UHFFFAOYSA-N
XLogP4.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(3,4-Dichlorophenyl)cyclobutyl]-5-dimethylamino-4-oxopentyl acetate
CID 19823610
1-[1-(3,4-Dichlorophenyl)cyclobutyl]-1-(dimethylamino)octan-2-one
CID 19823616
1-[1-(3,4-Dichlorophenyl)cyclobutyl]-1-(dimethylamino)-4-methylpentan-2-one
CID 19823633
1-[Cyclohexyl(methyl)amino]-1-[1-(3,4-dichlorophenyl)cyclobutyl]butan-2-one
CID 19823635
6-[1-(3,4-Dichlorophenyl)cyclobutyl]-6-dimethylaminohexan-2-ol
CID 19823640
1-[1-(4-Chlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxypentan-2-one
CID 19823641
1-[1-(3,4-Dichlorophenyl)cyclobutyl]-1-(dimethylamino)hexan-2-one
CID 19823647
1-[1-(3,4-Dichlorophenyl)cyclobutyl]-1-piperidin-1-ylpropan-2-one
CID 19823652
8-[1-(3,4-Dichlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-one
CID 19823665
9-[1-(3,4-Dichlorophenyl)cyclobutyl]-9-(dimethylamino)nonane-2,5-dione
CID 19823666
6-[1-(3,4-Dichlorophenyl)cyclobutyl]-6-dimethylaminohexan-2-one
CID 19823683
1-[1-(3,4-dichlorophenyl)cyclobutyl]-9-methoxy-N,N-dimethylnonan-1-amine
CID 19823688

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one (CID 19823718) is 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one is COC(C)CCC(=O)C(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one?
The InChIKey is FNEYHOCYPPBFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27Cl2NO2/c1-13(24-4)6-9-17(23)18(22(2)3)19(10-5-11-19)14-7-8-15(20)16(21)12-14/h7-8,12-13,18H,5-6,9-11H2,1-4H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one?
1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one has a molecular weight of 372.34 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one is sourced from PubChem (CID 19823718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).