1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone

C13H19NO3 — CID 117347100

IUPAC1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(C)c(OC)cc(C)c1OC
InChIInChI=1S/C13H19NO3/c1-8-6-11(16-4)9(2)12(13(8)17-5)10(15)7-14-3/h6,14H,7H2,1-5H3
InChIKeyASNNVJPELKAAQC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.72
Rot. Bonds5

About 1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone

1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone (PubChem CID 117347100) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone
PubChem CID117347100
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(C)c(OC)cc(C)c1OC
InChIInChI=1S/C13H19NO3/c1-8-6-11(16-4)9(2)12(13(8)17-5)10(15)7-14-3/h6,14H,7H2,1-5H3
InChIKeyASNNVJPELKAAQC-UHFFFAOYSA-N
XLogP1.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-3,6-dimethylbenzoic acid
CID 23538696
1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117460893
1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone
CID 117319719
1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone
CID 116915325
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone
CID 84702868
1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone
CID 117361222
1-(3,5-dimethoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 117319727
1-(4-methoxy-2,3,6-trimethylphenyl)-2-sulfanylethanone
CID 116829931
1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone
CID 117298441
1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117460894
1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone
CID 84809527
methyl 4-(4-methoxy-2,3,6-trimethylphenyl)-4-oxobutanoate
CID 82552645

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone (CID 117347100) is 1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1c(C)c(OC)cc(C)c1OC.
What is the InChIKey of 1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone?
The InChIKey is ASNNVJPELKAAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8-6-11(16-4)9(2)12(13(8)17-5)10(15)7-14-3/h6,14H,7H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone?
1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone has a molecular weight of 237.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117347100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).