3-amino-1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutan-1-one

C15H23NO2 — CID 116915791

IUPAC3-amino-1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutan-1-one
SMILESCOc1c(C)c(C)cc(C)c1C(=O)CC(C)(C)N
InChIInChI=1S/C15H23NO2/c1-9-7-10(2)13(14(18-6)11(9)3)12(17)8-15(4,5)16/h7H,8,16H2,1-6H3
InChIKeyWKCXAXCSMFCMJX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.93
Rot. Bonds4

About 3-amino-1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutan-1-one

3-amino-1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutan-1-one (PubChem CID 116915791) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-amino-1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutan-1-one
PubChem CID116915791
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-amino-1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutan-1-one
SMILESCOc1c(C)c(C)cc(C)c1C(=O)CC(C)(C)N
InChIInChI=1S/C15H23NO2/c1-9-7-10(2)13(14(18-6)11(9)3)12(17)8-15(4,5)16/h7H,8,16H2,1-6H3
InChIKeyWKCXAXCSMFCMJX-UHFFFAOYSA-N
XLogP2.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5,7-dimethyl-2-(trichloromethyl)-2,3-dihydro-4H-chromen-4-one
CID 605308
2-Methoxy-4,6-dimethylbenzaldehyde
CID 13237473
1-[4-(2-Aminopropyl)-2,5-dimethoxyphenyl]propan-1-one;hydrochloride
CID 52944126
1-(2-Methoxy-4,6-dimethylphenyl)ethanone
CID 279976
1-(2-Methoxy-4,5-dimethylphenyl)ethanone
CID 821101
1-(4-Acetyl-2,5-dimethoxyphenyl)-2-aminopropane
CID 23983771
2-Amino-5,7-dimethyl-2-trifluoromethyl-chroman-4-one
CID 590495
2'-Methoxy-3',4'-dimethylacetophenone
CID 10932001
2-(Fluoromethoxy)-3,6-dimethylbenzoyl fluoride
CID 88928109
8-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10943275
1-(2-Methoxy-4,6-dimethylphenyl)-2-methyl-1-propanone
CID 82492242
4'-Benzyl-2'-methoxy-3'-methylacetophenone
CID 129849190

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutan-1-one?
The IUPAC name of 3-amino-1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutan-1-one (CID 116915791) is 3-amino-1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutan-1-one?
The canonical SMILES for 3-amino-1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutan-1-one is COc1c(C)c(C)cc(C)c1C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutan-1-one?
The InChIKey is WKCXAXCSMFCMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-9-7-10(2)13(14(18-6)11(9)3)12(17)8-15(4,5)16/h7H,8,16H2,1-6H3.
What are the key properties of 3-amino-1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutan-1-one?
3-amino-1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutan-1-one has a molecular weight of 249.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutan-1-one is sourced from PubChem (CID 116915791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).