1-(2,3-dimethylphenyl)-2-methyl-3-(methylamino)propan-1-one

C13H19NO — CID 116586829

IUPAC1-(2,3-dimethylphenyl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)c1cccc(C)c1C
InChIInChI=1S/C13H19NO/c1-9-6-5-7-12(11(9)3)13(15)10(2)8-14-4/h5-7,10,14H,8H2,1-4H3
InChIKeyZRNRARANVFQMTI-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.34
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-2-methyl-3-(methylamino)propan-1-one

1-(2,3-dimethylphenyl)-2-methyl-3-(methylamino)propan-1-one (PubChem CID 116586829) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-methyl-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-methyl-3-(methylamino)propan-1-one
PubChem CID116586829
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(2,3-dimethylphenyl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)c1cccc(C)c1C
InChIInChI=1S/C13H19NO/c1-9-6-5-7-12(11(9)3)13(15)10(2)8-14-4/h5-7,10,14H,8H2,1-4H3
InChIKeyZRNRARANVFQMTI-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(2,3-dimethylphenyl)-3-methylbutan-1-one
CID 175812414
1-(2,3-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one
CID 137331652
1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586918
ethane;N,2,3-trimethylbenzamide
CID 178108869
2,3-dimethylbenzohydrazide
CID 16790549
methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate
CID 79196270
1-(2,3-dimethylphenyl)-3-hydroxybutan-1-one
CID 162516243
2-(methylaminomethyl)-1-(2-methylphenyl)butan-1-one
CID 116923949
1-(2,3-dimethylphenyl)-2-ethoxybutan-1-one
CID 116707669
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride
CID 119828404
2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 113265693
(2R)-2-[(2,3-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107823072

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-methyl-3-(methylamino)propan-1-one?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-methyl-3-(methylamino)propan-1-one (CID 116586829) is 1-(2,3-dimethylphenyl)-2-methyl-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-methyl-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-methyl-3-(methylamino)propan-1-one is CNCC(C)C(=O)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-methyl-3-(methylamino)propan-1-one?
The InChIKey is ZRNRARANVFQMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-6-5-7-12(11(9)3)13(15)10(2)8-14-4/h5-7,10,14H,8H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-methyl-3-(methylamino)propan-1-one?
1-(2,3-dimethylphenyl)-2-methyl-3-(methylamino)propan-1-one has a molecular weight of 205.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-methyl-3-(methylamino)propan-1-one is sourced from PubChem (CID 116586829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).