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

C13H19NO — CID 116560222

IUPAC3-amino-1-(3,4-dimethylphenyl)-3-methylbutan-2-one
SMILESCc1ccc(CC(=O)C(C)(C)N)cc1C
InChIInChI=1S/C13H19NO/c1-9-5-6-11(7-10(9)2)8-12(15)13(3,4)14/h5-7H,8,14H2,1-4H3
InChIKeySGPGAZPDMNIOCN-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.15
Rot. Bonds3

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

3-amino-1-(3,4-dimethylphenyl)-3-methylbutan-2-one (PubChem CID 116560222) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-amino-1-(3,4-dimethylphenyl)-3-methylbutan-2-one.

Molecular Properties

Compound Name3-amino-1-(3,4-dimethylphenyl)-3-methylbutan-2-one
PubChem CID116560222
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-amino-1-(3,4-dimethylphenyl)-3-methylbutan-2-one
SMILESCc1ccc(CC(=O)C(C)(C)N)cc1C
InChIInChI=1S/C13H19NO/c1-9-5-6-11(7-10(9)2)8-12(15)13(3,4)14/h5-7H,8,14H2,1-4H3
InChIKeySGPGAZPDMNIOCN-UHFFFAOYSA-N
XLogP2.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one
CID 116581156
3-(diethylamino)-1-(3,4-dimethylphenyl)-3-methylbutan-2-one
CID 79054218
3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one
CID 116560214
3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one
CID 116560239
1-(3,4-dimethylphenyl)-5,5-dimethylhexan-2-one
CID 62901853
1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone
CID 116576667
methyl 3-(3,4-dimethylphenyl)-2-oxopropanoate
CID 18371052
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethylphenyl)acetamide
CID 81484732
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 81486693
3-amino-3-methyl-1-(2-methylphenyl)butan-2-one
CID 116560190
[2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 2540902
2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide
CID 58181343

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dimethylphenyl)-3-methylbutan-2-one?
The IUPAC name of 3-amino-1-(3,4-dimethylphenyl)-3-methylbutan-2-one (CID 116560222) is 3-amino-1-(3,4-dimethylphenyl)-3-methylbutan-2-one.
What is the SMILES notation for 3-amino-1-(3,4-dimethylphenyl)-3-methylbutan-2-one?
The canonical SMILES for 3-amino-1-(3,4-dimethylphenyl)-3-methylbutan-2-one is Cc1ccc(CC(=O)C(C)(C)N)cc1C.
What is the InChIKey of 3-amino-1-(3,4-dimethylphenyl)-3-methylbutan-2-one?
The InChIKey is SGPGAZPDMNIOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-5-6-11(7-10(9)2)8-12(15)13(3,4)14/h5-7H,8,14H2,1-4H3.
What are the key properties of 3-amino-1-(3,4-dimethylphenyl)-3-methylbutan-2-one?
3-amino-1-(3,4-dimethylphenyl)-3-methylbutan-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dimethylphenyl)-3-methylbutan-2-one is sourced from PubChem (CID 116560222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).