1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone

C13H19NO2 — CID 116915325

IUPAC1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C13H19NO2/c1-8-6-9(2)12(11(15)7-14-4)13(16-5)10(8)3/h6,14H,7H2,1-5H3
InChIKeyDEANZKQOCQLCGD-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.02
Rot. Bonds4

About 1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone

1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone (PubChem CID 116915325) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone
PubChem CID116915325
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C13H19NO2/c1-8-6-9(2)12(11(15)7-14-4)13(16-5)10(8)3/h6,14H,7H2,1-5H3
InChIKeyDEANZKQOCQLCGD-UHFFFAOYSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117460893
1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone
CID 117347100
1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylsulfanylpropan-1-one
CID 116830919
2-hydroxy-1-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-one
CID 116826840
1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone
CID 117298441
2-methoxy-3,4,6-trimethylbenzoyl chloride
CID 116924656
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone
CID 84702868
1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117460894
1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone
CID 117319719
(E)-4-(2-methoxy-3,4,6-trimethylphenyl)-4-oxobut-2-enoic acid
CID 116919495
1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone
CID 117361222
(1-aminocyclopropyl)-(2-methoxy-3,4,6-trimethylphenyl)methanone
CID 116924371

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone (CID 116915325) is 1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1c(C)cc(C)c(C)c1OC.
What is the InChIKey of 1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone?
The InChIKey is DEANZKQOCQLCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8-6-9(2)12(11(15)7-14-4)13(16-5)10(8)3/h6,14H,7H2,1-5H3.
What are the key properties of 1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone?
1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone has a molecular weight of 221.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 116915325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).