2,5-dibromo-4-methylaniline

C7H7Br2N — CID 15752291

IUPAC2,5-dibromo-4-methylaniline
SMILESCc1cc(Br)c(N)cc1Br
InChIInChI=1S/C7H7Br2N/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,10H2,1H3
InChIKeyVJCBGDVYZBLGFL-UHFFFAOYSA-N
MW264.95 g/mol
LogP3.10
Rot. Bonds

About 2,5-dibromo-4-methylaniline

2,5-dibromo-4-methylaniline (PubChem CID 15752291) has the molecular formula C7H7Br2N and a molecular weight of 264.95 g/mol. Its IUPAC name is 2,5-dibromo-4-methylaniline.

Molecular Properties

Compound Name2,5-dibromo-4-methylaniline
PubChem CID15752291
Molecular FormulaC7H7Br2N
Molecular Weight264.95 g/mol
Exact Mass262.89
IUPAC Name2,5-dibromo-4-methylaniline
SMILESCc1cc(Br)c(N)cc1Br
InChIInChI=1S/C7H7Br2N/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,10H2,1H3
InChIKeyVJCBGDVYZBLGFL-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.95
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-methylaniline?
The IUPAC name of 2,5-dibromo-4-methylaniline (CID 15752291) is 2,5-dibromo-4-methylaniline.
What is the SMILES notation for 2,5-dibromo-4-methylaniline?
The canonical SMILES for 2,5-dibromo-4-methylaniline is Cc1cc(Br)c(N)cc1Br.
What is the InChIKey of 2,5-dibromo-4-methylaniline?
The InChIKey is VJCBGDVYZBLGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2N/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,10H2,1H3.
What are the key properties of 2,5-dibromo-4-methylaniline?
2,5-dibromo-4-methylaniline has a molecular weight of 264.95 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-methylaniline is sourced from PubChem (CID 15752291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).