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

C12H17NO — CID 52988261

IUPAC1-(3,4-dimethylphenyl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C12H17NO/c1-8-5-6-11(7-9(8)2)12(14)10(3)13-4/h5-7,10,13H,1-4H3
InChIKeyIBZRXTVDTGVBIS-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.09
Rot. Bonds3

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

1-(3,4-dimethylphenyl)-2-(methylamino)propan-1-one (PubChem CID 52988261) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(methylamino)propan-1-one
PubChem CID52988261
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(3,4-dimethylphenyl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C12H17NO/c1-8-5-6-11(7-9(8)2)12(14)10(3)13-4/h5-7,10,13H,1-4H3
InChIKeyIBZRXTVDTGVBIS-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(methylamino)propan-1-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(methylamino)propan-1-one (CID 52988261) is 1-(3,4-dimethylphenyl)-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(methylamino)propan-1-one is CNC(C)C(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(methylamino)propan-1-one?
The InChIKey is IBZRXTVDTGVBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-5-6-11(7-9(8)2)12(14)10(3)13-4/h5-7,10,13H,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(methylamino)propan-1-one?
1-(3,4-dimethylphenyl)-2-(methylamino)propan-1-one has a molecular weight of 191.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(methylamino)propan-1-one is sourced from PubChem (CID 52988261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).