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

C12H16BrNO2 — CID 117460893

IUPAC1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(Br)c(C)cc(C)c1OC
InChIInChI=1S/C12H16BrNO2/c1-7-5-8(2)12(16-4)10(11(7)13)9(15)6-14-3/h5,14H,6H2,1-4H3
InChIKeyAPMCCYTYEOHCFE-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.48
Rot. Bonds4

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

1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone (PubChem CID 117460893) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
PubChem CID117460893
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(Br)c(C)cc(C)c1OC
InChIInChI=1S/C12H16BrNO2/c1-7-5-8(2)12(16-4)10(11(7)13)9(15)6-14-3/h5,14H,6H2,1-4H3
InChIKeyAPMCCYTYEOHCFE-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2-bromo-6-methoxy-3,5-dimethylphenyl)propan-1-one
CID 117461043
1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117460894
1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone
CID 84709029
1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone
CID 117347100
1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone
CID 116915325
1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone
CID 117319719
1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone
CID 117298441
1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone
CID 84809527
1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117488916
(2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone
CID 87923708
1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464842
1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84809522

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone (CID 117460893) is 1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1c(Br)c(C)cc(C)c1OC.
What is the InChIKey of 1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone?
The InChIKey is APMCCYTYEOHCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-7-5-8(2)12(16-4)10(11(7)13)9(15)6-14-3/h5,14H,6H2,1-4H3.
What are the key properties of 1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone?
1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone has a molecular weight of 286.17 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117460893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).