1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one

C17H24ClNO — CID 19823620

IUPAC1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one
SMILESCC(C)C(=O)C(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H24ClNO/c1-12(2)15(20)16(19(3)4)17(10-5-11-17)13-6-8-14(18)9-7-13/h6-9,12,16H,5,10-11H2,1-4H3
InChIKeyIHWSTBONSPKNJB-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.92
Rot. Bonds5

About 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one

1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one (PubChem CID 19823620) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one
PubChem CID19823620
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one
SMILESCC(C)C(=O)C(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H24ClNO/c1-12(2)15(20)16(19(3)4)17(10-5-11-17)13-6-8-14(18)9-7-13/h6-9,12,16H,5,10-11H2,1-4H3
InChIKeyIHWSTBONSPKNJB-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5210
Sibutramine Hydrochloride
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Meridia
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CID 26910
4-chloro-alpha-PHP
CID 137331671
(+)-Sibutramine
CID 667542
(E)-1-(4-chlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-one;hydrochloride
CID 24192506
4-(4-Chlorophenyl)-6-(dimethylamino)-4-phenylhexan-3-one
CID 10246034

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one (CID 19823620) is 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one is CC(C)C(=O)C(N(C)C)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one?
The InChIKey is IHWSTBONSPKNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-12(2)15(20)16(19(3)4)17(10-5-11-17)13-6-8-14(18)9-7-13/h6-9,12,16H,5,10-11H2,1-4H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one?
1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one has a molecular weight of 293.84 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one is sourced from PubChem (CID 19823620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).