1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone

C12H17NO3 — CID 117319719

IUPAC1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C)c(OC)c(OC)c1
InChIInChI=1S/C12H17NO3/c1-8-5-9(10(14)7-13-2)6-11(15-3)12(8)16-4/h5-6,13H,7H2,1-4H3
InChIKeyQEBYFFYAJDUXMN-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.41
Rot. Bonds5

About 1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone

1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone (PubChem CID 117319719) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone
PubChem CID117319719
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C)c(OC)c(OC)c1
InChIInChI=1S/C12H17NO3/c1-8-5-9(10(14)7-13-2)6-11(15-3)12(8)16-4/h5-6,13H,7H2,1-4H3
InChIKeyQEBYFFYAJDUXMN-UHFFFAOYSA-N
XLogP1.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone
CID 84791733
1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464842
1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone
CID 117347100
N-ethyl-3,4-dimethoxy-5-methylbenzamide
CID 70790731
1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117460893
1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone
CID 116915325
1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone
CID 117439986
1-(3-amino-4,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117108284
2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990
1-[3-methoxy-5-methyl-4-(methylamino)phenyl]propan-1-one
CID 129231374
1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117488916
3-hydroxy-2-methoxy-5-[2-(methylamino)acetyl]benzonitrile
CID 117313902

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone (CID 117319719) is 1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(C)c(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone?
The InChIKey is QEBYFFYAJDUXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-5-9(10(14)7-13-2)6-11(15-3)12(8)16-4/h5-6,13H,7H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone?
1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone has a molecular weight of 223.27 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117319719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).