1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one

C14H20ClNO — CID 79054221

IUPAC1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one
SMILESCCN(CC)C(C)(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-5-16(6-2)14(3,4)13(17)11-7-9-12(15)10-8-11/h7-10H,5-6H2,1-4H3
InChIKeyHWJFBCIKLHIQNB-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.64
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one

1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one (PubChem CID 79054221) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one
PubChem CID79054221
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one
SMILESCCN(CC)C(C)(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-5-16(6-2)14(3,4)13(17)11-7-9-12(15)10-8-11/h7-10H,5-6H2,1-4H3
InChIKeyHWJFBCIKLHIQNB-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
CID 79062686
1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one
CID 79053041
2-(diethylamino)-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one
CID 107128345
2-(diethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one
CID 81196399
2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide
CID 11310994
1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one
CID 63964851
2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 19879504
2-(diethylamino)-2-methyl-1-(3-methylthiophen-2-yl)propan-1-one
CID 79992059
1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one
CID 43160394
1-(4-chlorophenyl)-2,2,4-trimethylpentane-1,3-dione
CID 15903801
1-(4-chlorophenyl)-2-N',2-N'-diethylpropane-2,2-diamine
CID 84752651
2-(dibutylamino)-1-[4-[[4-[2-(dibutylamino)-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
CID 141225671

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one (CID 79054221) is 1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one is CCN(CC)C(C)(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one?
The InChIKey is HWJFBCIKLHIQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-5-16(6-2)14(3,4)13(17)11-7-9-12(15)10-8-11/h7-10H,5-6H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one?
1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one has a molecular weight of 253.77 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 79054221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).