1-(2,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one

C13H19NO — CID 116566560

IUPAC1-(2,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C13H19NO/c1-9-6-7-10(2)11(8-9)12(15)13(3,4)14-5/h6-8,14H,1-5H3
InChIKeyCATPVMCDYFANFO-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.48
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one

1-(2,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one (PubChem CID 116566560) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one
PubChem CID116566560
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(2,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C13H19NO/c1-9-6-7-10(2)11(8-9)12(15)13(3,4)14-5/h6-8,14H,1-5H3
InChIKeyCATPVMCDYFANFO-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-(2,5-dimethylphenyl)-2-methylpropan-1-one
CID 121000550
1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116918725
N',2,5-trimethylbenzohydrazide
CID 116846828
2-(dimethylamino)-1-(2,5-dimethylphenyl)-2-ethylbutan-1-one
CID 79064819
aluminum tris(2,5-dimethylbenzoate)
CID 22604903
N-(2-fluoro-4-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62835057
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116918708
N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzamide;hydrochloride
CID 119523285
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502208
2,5-dimethylbenzoyl isocyanate
CID 83529649
(Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol
CID 126634568

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one (CID 116566560) is 1-(2,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one is CNC(C)(C)C(=O)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one?
The InChIKey is CATPVMCDYFANFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-6-7-10(2)11(8-9)12(15)13(3,4)14-5/h6-8,14H,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one?
1-(2,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one has a molecular weight of 205.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one is sourced from PubChem (CID 116566560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).