1-(methylamino)-1-(2,3,4-trimethylphenyl)propan-2-one

C13H19NO — CID 116955940

IUPAC1-(methylamino)-1-(2,3,4-trimethylphenyl)propan-2-one
SMILESCNC(C(C)=O)c1ccc(C)c(C)c1C
InChIInChI=1S/C13H19NO/c1-8-6-7-12(10(3)9(8)2)13(14-5)11(4)15/h6-7,13-14H,1-5H3
InChIKeyREHPIKJPCGCMHF-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.46
Rot. Bonds3

About 1-(methylamino)-1-(2,3,4-trimethylphenyl)propan-2-one

1-(methylamino)-1-(2,3,4-trimethylphenyl)propan-2-one (PubChem CID 116955940) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(methylamino)-1-(2,3,4-trimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(methylamino)-1-(2,3,4-trimethylphenyl)propan-2-one
PubChem CID116955940
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(methylamino)-1-(2,3,4-trimethylphenyl)propan-2-one
SMILESCNC(C(C)=O)c1ccc(C)c(C)c1C
InChIInChI=1S/C13H19NO/c1-8-6-7-12(10(3)9(8)2)13(14-5)11(4)15/h6-7,13-14H,1-5H3
InChIKeyREHPIKJPCGCMHF-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate
CID 116961364
1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one
CID 116955821
2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid
CID 116961134
N'-methyl-2-(2,3,4-trimethylphenyl)propanehydrazide
CID 116847102
2,2-dimethyl-4-(methylamino)-4-(2,3,4-trimethylphenyl)butanoic acid
CID 116953757
1-(2,3,4-trimethylphenyl)ethanol
CID 130125335
(1S)-1-(methylamino)-1-phenylpropan-2-one
CID 59960222
2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol
CID 116957579
3-amino-3-(2,3,4-trimethylphenyl)propanamide
CID 116850990
1-(2-methylphenyl)-1-[2-[[1-(2-methylphenyl)-2-oxopropyl]amino]ethylamino]propan-2-one
CID 142068902
1-(4-chlorophenyl)-1-(methylamino)propan-2-one
CID 116955808
methyl 2-(5-bromo-2-methylphenyl)-2-(methylamino)acetate
CID 116857044

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-1-(2,3,4-trimethylphenyl)propan-2-one?
The IUPAC name of 1-(methylamino)-1-(2,3,4-trimethylphenyl)propan-2-one (CID 116955940) is 1-(methylamino)-1-(2,3,4-trimethylphenyl)propan-2-one.
What is the SMILES notation for 1-(methylamino)-1-(2,3,4-trimethylphenyl)propan-2-one?
The canonical SMILES for 1-(methylamino)-1-(2,3,4-trimethylphenyl)propan-2-one is CNC(C(C)=O)c1ccc(C)c(C)c1C.
What is the InChIKey of 1-(methylamino)-1-(2,3,4-trimethylphenyl)propan-2-one?
The InChIKey is REHPIKJPCGCMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-8-6-7-12(10(3)9(8)2)13(14-5)11(4)15/h6-7,13-14H,1-5H3.
What are the key properties of 1-(methylamino)-1-(2,3,4-trimethylphenyl)propan-2-one?
1-(methylamino)-1-(2,3,4-trimethylphenyl)propan-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-1-(2,3,4-trimethylphenyl)propan-2-one is sourced from PubChem (CID 116955940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).