3-(dimethylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one

C15H23NO — CID 82116294

IUPAC3-(dimethylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one
SMILESCc1cc(C)c(C)c(C(=O)CCN(C)C)c1C
InChIInChI=1S/C15H23NO/c1-10-9-11(2)13(4)15(12(10)3)14(17)7-8-16(5)6/h9H,7-8H2,1-6H3
InChIKeyGHWULNIJOYUKFV-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.05
Rot. Bonds4

About 3-(dimethylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one

3-(dimethylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one (PubChem CID 82116294) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one
PubChem CID82116294
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-(dimethylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one
SMILESCc1cc(C)c(C)c(C(=O)CCN(C)C)c1C
InChIInChI=1S/C15H23NO/c1-10-9-11(2)13(4)15(12(10)3)14(17)7-8-16(5)6/h9H,7-8H2,1-6H3
InChIKeyGHWULNIJOYUKFV-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(dimethylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 82283322
ethyl 4-oxo-4-(2,3,5,6-tetramethylphenyl)butanoate
CID 24727732
2-(diethylamino)-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 82051364
3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one
CID 130407441
N-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanamide
CID 94273911
3-oxo-3-(2,3,5,6-tetramethylphenyl)propanal
CID 82469980
3-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 94266322
3-(2-methylpropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 94274261
3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 53349627
3-amino-1-(2,3,5,6-tetramethylphenyl)butan-1-one
CID 116915587
2-(2-methylphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 43337311
3-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanoic acid
CID 24727227

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one (CID 82116294) is 3-(dimethylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one is Cc1cc(C)c(C)c(C(=O)CCN(C)C)c1C.
What is the InChIKey of 3-(dimethylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one?
The InChIKey is GHWULNIJOYUKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-9-11(2)13(4)15(12(10)3)14(17)7-8-16(5)6/h9H,7-8H2,1-6H3.
What are the key properties of 3-(dimethylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one?
3-(dimethylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one has a molecular weight of 233.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one is sourced from PubChem (CID 82116294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).