1-(2,6-dimethylphenyl)-3-(methylamino)propan-2-one

C12H17NO — CID 116553750

IUPAC1-(2,6-dimethylphenyl)-3-(methylamino)propan-2-one
SMILESCNCC(=O)Cc1c(C)cccc1C
InChIInChI=1S/C12H17NO/c1-9-5-4-6-10(2)12(9)7-11(14)8-13-3/h4-6,13H,7-8H2,1-3H3
InChIKeyCRBHRATYJAEINZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.63
Rot. Bonds4

About 1-(2,6-dimethylphenyl)-3-(methylamino)propan-2-one

1-(2,6-dimethylphenyl)-3-(methylamino)propan-2-one (PubChem CID 116553750) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-(methylamino)propan-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-(methylamino)propan-2-one
PubChem CID116553750
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(2,6-dimethylphenyl)-3-(methylamino)propan-2-one
SMILESCNCC(=O)Cc1c(C)cccc1C
InChIInChI=1S/C12H17NO/c1-9-5-4-6-10(2)12(9)7-11(14)8-13-3/h4-6,13H,7-8H2,1-3H3
InChIKeyCRBHRATYJAEINZ-UHFFFAOYSA-N
XLogP1.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethylphenyl)pent-4-en-2-one
CID 116659518
1-(furan-2-yl)-3-(methylamino)propan-2-one
CID 83635399
6-amino-1-(2,6-dimethylphenyl)hexan-2-one
CID 116571966
1-(2,6-dimethylphenyl)-3-propan-2-yloxypropan-2-one
CID 105123546
1-(2,6-dimethylphenyl)undecan-2-one
CID 115792441
1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one
CID 116553856
1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one
CID 115792473
N,3-bis(2,6-dimethylphenyl)-2-oxopropanamide
CID 158625322
1-chloro-3-[2-(chloromethyl)-6-methylphenyl]propan-2-one
CID 131294965
1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one
CID 115792622
4-amino-1-(2,6-dimethylphenyl)-5,5-dimethylhexan-2-one
CID 116608453
1-(2,6-dimethylphenyl)-4-propoxybutan-2-one
CID 105123511

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-(methylamino)propan-2-one?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-(methylamino)propan-2-one (CID 116553750) is 1-(2,6-dimethylphenyl)-3-(methylamino)propan-2-one.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-(methylamino)propan-2-one?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-(methylamino)propan-2-one is CNCC(=O)Cc1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-(methylamino)propan-2-one?
The InChIKey is CRBHRATYJAEINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-5-4-6-10(2)12(9)7-11(14)8-13-3/h4-6,13H,7-8H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3-(methylamino)propan-2-one?
1-(2,6-dimethylphenyl)-3-(methylamino)propan-2-one has a molecular weight of 191.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-(methylamino)propan-2-one is sourced from PubChem (CID 116553750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).