2-(dimethylamino)-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one

C16H25NO2 — CID 103432971

IUPAC2-(dimethylamino)-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
SMILESCCC(C)(C(=O)c1ccc(C)c(C)c1OC)N(C)C
InChIInChI=1S/C16H25NO2/c1-8-16(4,17(5)6)15(18)13-10-9-11(2)12(3)14(13)19-7/h9-10H,8H2,1-7H3
InChIKeyHHDBLTCIGWYTOL-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.23
Rot. Bonds5

About 2-(dimethylamino)-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one

2-(dimethylamino)-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one (PubChem CID 103432971) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
PubChem CID103432971
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(dimethylamino)-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
SMILESCCC(C)(C(=O)c1ccc(C)c(C)c1OC)N(C)C
InChIInChI=1S/C16H25NO2/c1-8-16(4,17(5)6)15(18)13-10-9-11(2)12(3)14(13)19-7/h9-10H,8H2,1-7H3
InChIKeyHHDBLTCIGWYTOL-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
CID 103433056
(3,4-dimethylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103435101
1-(2-methoxy-3,4-dimethylphenyl)heptan-1-one
CID 103435068
1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone
CID 103432888
2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone
CID 103433037
[3-(dimethylamino)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434965
2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one
CID 79052290
2-(dimethylamino)-2-ethyl-1-(2-methoxy-3,4-dimethylphenyl)butan-1-ol
CID 103433176
ethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate
CID 103434200
(2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103433024
1-(3-bromo-2,4-dimethoxyphenyl)-2-(dimethylamino)-2-ethylbutan-1-one
CID 103523078
3-(dimethylamino)-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-one
CID 79052304

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one?
The IUPAC name of 2-(dimethylamino)-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one (CID 103432971) is 2-(dimethylamino)-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one is CCC(C)(C(=O)c1ccc(C)c(C)c1OC)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one?
The InChIKey is HHDBLTCIGWYTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-8-16(4,17(5)6)15(18)13-10-9-11(2)12(3)14(13)19-7/h9-10H,8H2,1-7H3.
What are the key properties of 2-(dimethylamino)-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one?
2-(dimethylamino)-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one has a molecular weight of 263.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one is sourced from PubChem (CID 103432971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).