1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone

C12H16BrNO2 — CID 117460894

IUPAC1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C)c(Br)c(C)c1OC
InChIInChI=1S/C12H16BrNO2/c1-7-5-9(10(15)6-14-3)12(16-4)8(2)11(7)13/h5,14H,6H2,1-4H3
InChIKeyNSRIEGIILNDPIF-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.48
Rot. Bonds4

About 1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone

1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone (PubChem CID 117460894) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
PubChem CID117460894
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C)c(Br)c(C)c1OC
InChIInChI=1S/C12H16BrNO2/c1-7-5-9(10(15)6-14-3)12(16-4)8(2)11(7)13/h5,14H,6H2,1-4H3
InChIKeyNSRIEGIILNDPIF-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

1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117460893
1-(3-bromo-5-tert-butyl-2-methoxyphenyl)-2-(methylamino)ethanone
CID 117499837
1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117488916
1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone
CID 116915325
1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84809522
methyl 2-bromo-4-methoxy-3,5-dimethylbenzoate
CID 57495652
1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone
CID 117347100
1-(2-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464837
1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone
CID 84713744
1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone
CID 82605179
1-(3,5-dimethoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 117319727
1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone
CID 117319719

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone (CID 117460894) is 1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(C)c(Br)c(C)c1OC.
What is the InChIKey of 1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone?
The InChIKey is NSRIEGIILNDPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-7-5-9(10(15)6-14-3)12(16-4)8(2)11(7)13/h5,14H,6H2,1-4H3.
What are the key properties of 1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone?
1-(4-bromo-2-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-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117460894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).