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

C17H25Cl2NO — CID 19823619

IUPAC1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one;hydrochloride
SMILESCC(C)C(=O)C(N(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl
InChIInChI=1S/C17H24ClNO.ClH/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;1H
InChIKeyJYZWMWMOSLFFTE-UHFFFAOYSA-N
MW330.30 g/mol
LogP4.34
Rot. Bonds5

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

1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one;hydrochloride (PubChem CID 19823619) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one;hydrochloride
PubChem CID19823619
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one;hydrochloride
SMILESCC(C)C(=O)C(N(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl
InChIInChI=1S/C17H24ClNO.ClH/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;1H
InChIKeyJYZWMWMOSLFFTE-UHFFFAOYSA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one;hydrochloride?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one;hydrochloride (CID 19823619) is 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one;hydrochloride.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one;hydrochloride?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one;hydrochloride is CC(C)C(=O)C(N(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one;hydrochloride?
The InChIKey is JYZWMWMOSLFFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO.ClH/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;1H.
What are the key properties of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one;hydrochloride?
1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-methylbutan-2-one;hydrochloride has a molecular weight of 330.30 g/mol, XLogP of 4.34, 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;hydrochloride is sourced from PubChem (CID 19823619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).