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

C12H17NO3 — CID 117319727

IUPAC1-(3,5-dimethoxy-2-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(OC)cc(OC)c1C
InChIInChI=1S/C12H17NO3/c1-8-10(11(14)7-13-2)5-9(15-3)6-12(8)16-4/h5-6,13H,7H2,1-4H3
InChIKeyUQYRQRAHUQFGDZ-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.41
Rot. Bonds5

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

1-(3,5-dimethoxy-2-methylphenyl)-2-(methylamino)ethanone (PubChem CID 117319727) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-(3,5-dimethoxy-2-methylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethoxy-2-methylphenyl)-2-(methylamino)ethanone
PubChem CID117319727
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-(3,5-dimethoxy-2-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(OC)cc(OC)c1C
InChIInChI=1S/C12H17NO3/c1-8-10(11(14)7-13-2)5-9(15-3)6-12(8)16-4/h5-6,13H,7H2,1-4H3
InChIKeyUQYRQRAHUQFGDZ-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-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone
CID 84713744
1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone
CID 117347100
N,N-diethyl-3,5-dimethoxy-2-methylbenzamide
CID 12637452
1-(2-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464837
1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84809522
1-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117331411
1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374
methyl 3,5-dimethoxy-2-propanoylbenzoate
CID 6710788
1-(3,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 84666309
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone
CID 84702868
1-(4,5-dihydroxy-2,3-dimethylphenyl)-2-(methylamino)ethanone
CID 117298446
1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117460894

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxy-2-methylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3,5-dimethoxy-2-methylphenyl)-2-(methylamino)ethanone (CID 117319727) is 1-(3,5-dimethoxy-2-methylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3,5-dimethoxy-2-methylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3,5-dimethoxy-2-methylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(OC)cc(OC)c1C.
What is the InChIKey of 1-(3,5-dimethoxy-2-methylphenyl)-2-(methylamino)ethanone?
The InChIKey is UQYRQRAHUQFGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-10(11(14)7-13-2)5-9(15-3)6-12(8)16-4/h5-6,13H,7H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxy-2-methylphenyl)-2-(methylamino)ethanone?
1-(3,5-dimethoxy-2-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-(3,5-dimethoxy-2-methylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117319727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).