1-[3,5-dimethyl-2-(methylamino)phenyl]ethanone

C11H15NO — CID 70302407

IUPAC1-[3,5-dimethyl-2-(methylamino)phenyl]ethanone
SMILESCNc1c(C)cc(C)cc1C(C)=O
InChIInChI=1S/C11H15NO/c1-7-5-8(2)11(12-4)10(6-7)9(3)13/h5-6,12H,1-4H3
InChIKeyUSPLWVRWRJTJCQ-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.55
Rot. Bonds2

About 1-[3,5-dimethyl-2-(methylamino)phenyl]ethanone

1-[3,5-dimethyl-2-(methylamino)phenyl]ethanone (PubChem CID 70302407) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-[3,5-dimethyl-2-(methylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3,5-dimethyl-2-(methylamino)phenyl]ethanone
PubChem CID70302407
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-[3,5-dimethyl-2-(methylamino)phenyl]ethanone
SMILESCNc1c(C)cc(C)cc1C(C)=O
InChIInChI=1S/C11H15NO/c1-7-5-8(2)11(12-4)10(6-7)9(3)13/h5-6,12H,1-4H3
InChIKeyUSPLWVRWRJTJCQ-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(2,3,5-trimethylphenyl)ethanone
CID 145375991
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CID 13271247
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane
CID 144506946
N,2,4-trimethyl-6-nitroaniline
CID 10583519
(E)-N,N'-bis(2,4,6-trimethylphenyl)but-2-enediamide
CID 1091194
1-(3-acetyl-2-hydroxy-5-methylphenyl)ethanone;dichloromethane
CID 159502600
3-acetyl-2-hydroxy-5-methylbenzoyl chloride
CID 119092353
3-acetyl-2-fluoro-5-methylbenzoic acid
CID 164892614

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-2-(methylamino)phenyl]ethanone?
The IUPAC name of 1-[3,5-dimethyl-2-(methylamino)phenyl]ethanone (CID 70302407) is 1-[3,5-dimethyl-2-(methylamino)phenyl]ethanone.
What is the SMILES notation for 1-[3,5-dimethyl-2-(methylamino)phenyl]ethanone?
The canonical SMILES for 1-[3,5-dimethyl-2-(methylamino)phenyl]ethanone is CNc1c(C)cc(C)cc1C(C)=O.
What is the InChIKey of 1-[3,5-dimethyl-2-(methylamino)phenyl]ethanone?
The InChIKey is USPLWVRWRJTJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-5-8(2)11(12-4)10(6-7)9(3)13/h5-6,12H,1-4H3.
What are the key properties of 1-[3,5-dimethyl-2-(methylamino)phenyl]ethanone?
1-[3,5-dimethyl-2-(methylamino)phenyl]ethanone has a molecular weight of 177.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-2-(methylamino)phenyl]ethanone is sourced from PubChem (CID 70302407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).