4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one

C15H23NO2 — CID 116910577

IUPAC4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one
SMILESCOc1c(C)cc(C(CC(C)=O)N(C)C)cc1C
InChIInChI=1S/C15H23NO2/c1-10-7-13(8-11(2)15(10)18-6)14(16(4)5)9-12(3)17/h7-8,14H,9H2,1-6H3
InChIKeyXLMYHISSONXEOL-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.89
Rot. Bonds5

About 4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one

4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one (PubChem CID 116910577) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one
PubChem CID116910577
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one
SMILESCOc1c(C)cc(C(CC(C)=O)N(C)C)cc1C
InChIInChI=1S/C15H23NO2/c1-10-7-13(8-11(2)15(10)18-6)14(16(4)5)9-12(3)17/h7-8,14H,9H2,1-6H3
InChIKeyXLMYHISSONXEOL-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904878
1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine
CID 116905197
4-(dimethylamino)-4-(4-methylphenyl)butan-2-one
CID 82126356
2-(dimethylamino)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
CID 116914802
4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-2-one
CID 116910513
4-(dimethylamino)-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116910493
1-chloro-1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylmethanamine
CID 116915289
2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl(2-methylprop-2-enyl)amino]acetic acid
CID 46998255
N-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide
CID 115176827
2-[dimethylamino-(4-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol
CID 116913282
methyl 3-hydroxy-4-(4-methoxy-3,5-dimethylanilino)butanoate
CID 115123244
ethyl 2,3-dihydroxy-3-(4-methoxy-3,5-dimethylphenyl)propanoate
CID 171866441

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one?
The IUPAC name of 4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one (CID 116910577) is 4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one.
What is the SMILES notation for 4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one?
The canonical SMILES for 4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one is COc1c(C)cc(C(CC(C)=O)N(C)C)cc1C.
What is the InChIKey of 4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one?
The InChIKey is XLMYHISSONXEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-7-13(8-11(2)15(10)18-6)14(16(4)5)9-12(3)17/h7-8,14H,9H2,1-6H3.
What are the key properties of 4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one?
4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one has a molecular weight of 249.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one is sourced from PubChem (CID 116910577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).