1-(4-chlorophenyl)-1-(dimethylamino)-3-methylbutan-2-one;methane

C14H22ClNO — CID 160749880

IUPAC1-(4-chlorophenyl)-1-(dimethylamino)-3-methylbutan-2-one;methane
SMILESC.CC(C)C(=O)C(c1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C13H18ClNO.CH4/c1-9(2)13(16)12(15(3)4)10-5-7-11(14)8-6-10;/h5-9,12H,1-4H3;1H4
InChIKeyRWRCFMFGFDWEKI-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.80
Rot. Bonds4

About 1-(4-chlorophenyl)-1-(dimethylamino)-3-methylbutan-2-one;methane

1-(4-chlorophenyl)-1-(dimethylamino)-3-methylbutan-2-one;methane (PubChem CID 160749880) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(dimethylamino)-3-methylbutan-2-one;methane.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(dimethylamino)-3-methylbutan-2-one;methane
PubChem CID160749880
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(4-chlorophenyl)-1-(dimethylamino)-3-methylbutan-2-one;methane
SMILESC.CC(C)C(=O)C(c1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C13H18ClNO.CH4/c1-9(2)13(16)12(15(3)4)10-5-7-11(14)8-6-10;/h5-9,12H,1-4H3;1H4
InChIKeyRWRCFMFGFDWEKI-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(dimethylamino)-3-methylbutan-2-one;methane?
The IUPAC name of 1-(4-chlorophenyl)-1-(dimethylamino)-3-methylbutan-2-one;methane (CID 160749880) is 1-(4-chlorophenyl)-1-(dimethylamino)-3-methylbutan-2-one;methane.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(dimethylamino)-3-methylbutan-2-one;methane?
The canonical SMILES for 1-(4-chlorophenyl)-1-(dimethylamino)-3-methylbutan-2-one;methane is C.CC(C)C(=O)C(c1ccc(Cl)cc1)N(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-1-(dimethylamino)-3-methylbutan-2-one;methane?
The InChIKey is RWRCFMFGFDWEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO.CH4/c1-9(2)13(16)12(15(3)4)10-5-7-11(14)8-6-10;/h5-9,12H,1-4H3;1H4.
What are the key properties of 1-(4-chlorophenyl)-1-(dimethylamino)-3-methylbutan-2-one;methane?
1-(4-chlorophenyl)-1-(dimethylamino)-3-methylbutan-2-one;methane has a molecular weight of 255.79 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(dimethylamino)-3-methylbutan-2-one;methane is sourced from PubChem (CID 160749880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).