2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone

C10H12BrNO2 — CID 117398321

IUPAC2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone
SMILESCOCc1cccc(Br)c1C(=O)CN
InChIInChI=1S/C10H12BrNO2/c1-14-6-7-3-2-4-8(11)10(7)9(13)5-12/h2-4H,5-6,12H2,1H3
InChIKeyOUFGTHVLIVAIQP-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.74
Rot. Bonds4

About 2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone

2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone (PubChem CID 117398321) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone
PubChem CID117398321
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone
SMILESCOCc1cccc(Br)c1C(=O)CN
InChIInChI=1S/C10H12BrNO2/c1-14-6-7-3-2-4-8(11)10(7)9(13)5-12/h2-4H,5-6,12H2,1H3
InChIKeyOUFGTHVLIVAIQP-UHFFFAOYSA-N
XLogP1.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-bromo-6-(methoxymethyl)phenyl]ethanone
CID 117358994
2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone
CID 117286739
2-amino-1-(2-bromo-6-chlorophenyl)ethanone
CID 84706659
2-amino-1-(2-bromo-6-fluorophenyl)ethanone
CID 84695252
ethyl 2-[2-bromo-6-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117487970
2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone
CID 117452873
3-[2-bromo-6-(methoxymethyl)phenyl]propanoic acid
CID 117435039
[1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117457397
[3-bromo-2-(2-methoxyethoxy)phenyl]methanamine
CID 61389790
methyl 2-bromo-6-(2-oxopropyl)benzoate
CID 134648674
(3-bromo-2-methoxyphenyl)methanamine;hydrochloride
CID 71755622
2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone
CID 117306249

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone (CID 117398321) is 2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone is COCc1cccc(Br)c1C(=O)CN.
What is the InChIKey of 2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone?
The InChIKey is OUFGTHVLIVAIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-14-6-7-3-2-4-8(11)10(7)9(13)5-12/h2-4H,5-6,12H2,1H3.
What are the key properties of 2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone?
2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone has a molecular weight of 258.11 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone is sourced from PubChem (CID 117398321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).