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

C14H21NO2 — CID 106681750

IUPAC3-amino-1-(2-methoxy-4,6-dimethylphenyl)-3-methylbutan-1-one
SMILESCOc1cc(C)cc(C)c1C(=O)CC(C)(C)N
InChIInChI=1S/C14H21NO2/c1-9-6-10(2)13(12(7-9)17-5)11(16)8-14(3,4)15/h6-7H,8,15H2,1-5H3
InChIKeyPZJVZBBFKUMYTQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.62
Rot. Bonds4

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

3-amino-1-(2-methoxy-4,6-dimethylphenyl)-3-methylbutan-1-one (PubChem CID 106681750) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-1-(2-methoxy-4,6-dimethylphenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-methoxy-4,6-dimethylphenyl)-3-methylbutan-1-one
PubChem CID106681750
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-amino-1-(2-methoxy-4,6-dimethylphenyl)-3-methylbutan-1-one
SMILESCOc1cc(C)cc(C)c1C(=O)CC(C)(C)N
InChIInChI=1S/C14H21NO2/c1-9-6-10(2)13(12(7-9)17-5)11(16)8-14(3,4)15/h6-7H,8,15H2,1-5H3
InChIKeyPZJVZBBFKUMYTQ-UHFFFAOYSA-N
XLogP2.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.62
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
4H-1-Benzopyran-2-carbonitrile, 5,7-dimethyl-4-oxo-
CID 214630
2-Methoxy-4,6-dimethylbenzaldehyde
CID 13237473
1-[4-(2-Aminopropyl)-2,5-dimethoxyphenyl]propan-1-one;hydrochloride
CID 52944126
5,7-dimethyl-4-oxo-4H-chromene-3-carbonitrile
CID 2726354
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
1-[4-(2-Aminoethyl)-2,5-dimethoxyphenyl]ethanone;hydrochloride
CID 177641762
2-Amino-5,7-dimethyl-2-trifluoromethyl-chroman-4-one
CID 590495
2'-Methoxy-3',4'-dimethylacetophenone
CID 10932001
2',4'-Bis(trifluoromethyl)-6'-methoxyacetophenone
CID 119005128

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methoxy-4,6-dimethylphenyl)-3-methylbutan-1-one?
The IUPAC name of 3-amino-1-(2-methoxy-4,6-dimethylphenyl)-3-methylbutan-1-one (CID 106681750) is 3-amino-1-(2-methoxy-4,6-dimethylphenyl)-3-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-(2-methoxy-4,6-dimethylphenyl)-3-methylbutan-1-one?
The canonical SMILES for 3-amino-1-(2-methoxy-4,6-dimethylphenyl)-3-methylbutan-1-one is COc1cc(C)cc(C)c1C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-1-(2-methoxy-4,6-dimethylphenyl)-3-methylbutan-1-one?
The InChIKey is PZJVZBBFKUMYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-6-10(2)13(12(7-9)17-5)11(16)8-14(3,4)15/h6-7H,8,15H2,1-5H3.
What are the key properties of 3-amino-1-(2-methoxy-4,6-dimethylphenyl)-3-methylbutan-1-one?
3-amino-1-(2-methoxy-4,6-dimethylphenyl)-3-methylbutan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.62, 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-4,6-dimethylphenyl)-3-methylbutan-1-one is sourced from PubChem (CID 106681750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).