1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone

C11H14BrNO2 — CID 84809522

IUPAC1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(OC)c(Br)cc1C
InChIInChI=1S/C11H14BrNO2/c1-7-4-9(12)11(15-3)5-8(7)10(14)6-13-2/h4-5,13H,6H2,1-3H3
InChIKeyDWPGXMBHSYKNCM-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.17
Rot. Bonds4

About 1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone

1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone (PubChem CID 84809522) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone
PubChem CID84809522
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(OC)c(Br)cc1C
InChIInChI=1S/C11H14BrNO2/c1-7-4-9(12)11(15-3)5-8(7)10(14)6-13-2/h4-5,13H,6H2,1-3H3
InChIKeyDWPGXMBHSYKNCM-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464837
1-(4-bromo-5-hydroxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84805710
4-bromo-5-methoxy-2-methylbenzoyl chloride
CID 171004599
4-bromo-5-methoxy-2-methylbenzamide
CID 168987253
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
1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone
CID 84713744
1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117460894
1-(3,5-dimethoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 117319727
1-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117331411
1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374
2-bromo-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 15643655

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone (CID 84809522) is 1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(OC)c(Br)cc1C.
What is the InChIKey of 1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone?
The InChIKey is DWPGXMBHSYKNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7-4-9(12)11(15-3)5-8(7)10(14)6-13-2/h4-5,13H,6H2,1-3H3.
What are the key properties of 1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone?
1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone has a molecular weight of 272.14 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 84809522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).