2,6-dibromo-4-methoxyaniline

C7H7Br2NO — CID 542895

IUPAC2,6-dibromo-4-methoxyaniline
SMILESCOc1cc(Br)c(N)c(Br)c1
InChIInChI=1S/C7H7Br2NO/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3
InChIKeyJIZVMILRYBKPFN-UHFFFAOYSA-N
MW280.95 g/mol
LogP2.80
Rot. Bonds1

About 2,6-dibromo-4-methoxyaniline

2,6-dibromo-4-methoxyaniline (PubChem CID 542895) has the molecular formula C7H7Br2NO and a molecular weight of 280.95 g/mol. Its IUPAC name is 2,6-dibromo-4-methoxyaniline.

Molecular Properties

Compound Name2,6-dibromo-4-methoxyaniline
PubChem CID542895
Molecular FormulaC7H7Br2NO
Molecular Weight280.95 g/mol
Exact Mass278.89
IUPAC Name2,6-dibromo-4-methoxyaniline
SMILESCOc1cc(Br)c(N)c(Br)c1
InChIInChI=1S/C7H7Br2NO/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3
InChIKeyJIZVMILRYBKPFN-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.95
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-methanimidoyl-4-methoxyaniline
CID 167075235
2,6-dibromo-4-ethoxyaniline
CID 14043930
1-(2-amino-3-bromo-5-methoxyphenyl)-2-chloropropan-1-one
CID 71713899
2-bromo-6-methoxybenzene-1,4-diamine
CID 10889334
(1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine
CID 82759020
6-bromo-4-methoxy-2,3-dimethylaniline
CID 151145179
phosphane;1,3,5-trimethoxybenzene
CID 175232895
2,6-dibromo-4-methoxypyridine
CID 10901569
(1R)-1-(3-bromo-5-methoxyphenyl)ethanamine
CID 130632981
2,6-dibromo-4-methoxy-1-methylpyridin-1-ium
CID 170368182
2,6-dibromo-4-ethylaniline
CID 14043928
1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-methoxyaniline?
The IUPAC name of 2,6-dibromo-4-methoxyaniline (CID 542895) is 2,6-dibromo-4-methoxyaniline.
What is the SMILES notation for 2,6-dibromo-4-methoxyaniline?
The canonical SMILES for 2,6-dibromo-4-methoxyaniline is COc1cc(Br)c(N)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-methoxyaniline?
The InChIKey is JIZVMILRYBKPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2NO/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3.
What are the key properties of 2,6-dibromo-4-methoxyaniline?
2,6-dibromo-4-methoxyaniline has a molecular weight of 280.95 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-methoxyaniline is sourced from PubChem (CID 542895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).