1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone

C11H14BrNO2 — CID 84809527

IUPAC1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(Br)cc(C)cc1OC
InChIInChI=1S/C11H14BrNO2/c1-7-4-8(12)11(9(14)6-13-2)10(5-7)15-3/h4-5,13H,6H2,1-3H3
InChIKeyDASDTLLOGCNIAV-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.17
Rot. Bonds4

About 1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone

1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone (PubChem CID 84809527) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone
PubChem CID84809527
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(Br)cc(C)cc1OC
InChIInChI=1S/C11H14BrNO2/c1-7-4-8(12)11(9(14)6-13-2)10(5-7)15-3/h4-5,13H,6H2,1-3H3
InChIKeyDASDTLLOGCNIAV-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

methyl 2-bromo-6-methoxy-4-methylbenzoate
CID 131571663
2-bromo-6-methoxy-4-methylbenzoic acid
CID 84802763
1-(2-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464837
1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84809522
1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464842
1-(2-methoxy-4,6-dimethylphenyl)-3-(methylamino)propan-1-one
CID 96672338
1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone
CID 117347100
2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid
CID 172907938
1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117460893
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone
CID 84702868
1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone
CID 117361222
1-(3-bromo-4-methoxyphenyl)-3-(methylamino)propan-2-one
CID 116553852

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone (CID 84809527) is 1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1c(Br)cc(C)cc1OC.
What is the InChIKey of 1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone?
The InChIKey is DASDTLLOGCNIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7-4-8(12)11(9(14)6-13-2)10(5-7)15-3/h4-5,13H,6H2,1-3H3.
What are the key properties of 1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone?
1-(2-bromo-6-methoxy-4-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-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 84809527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).