3,4-dibromo-2-methylaniline

C7H7Br2N — CID 19379030

IUPAC3,4-dibromo-2-methylaniline
SMILESCc1c(N)ccc(Br)c1Br
InChIInChI=1S/C7H7Br2N/c1-4-6(10)3-2-5(8)7(4)9/h2-3H,10H2,1H3
InChIKeyGIGLUVUFHSYEHD-UHFFFAOYSA-N
MW264.95 g/mol
LogP3.10
Rot. Bonds

About 3,4-dibromo-2-methylaniline

3,4-dibromo-2-methylaniline (PubChem CID 19379030) has the molecular formula C7H7Br2N and a molecular weight of 264.95 g/mol. Its IUPAC name is 3,4-dibromo-2-methylaniline.

Molecular Properties

Compound Name3,4-dibromo-2-methylaniline
PubChem CID19379030
Molecular FormulaC7H7Br2N
Molecular Weight264.95 g/mol
Exact Mass262.89
IUPAC Name3,4-dibromo-2-methylaniline
SMILESCc1c(N)ccc(Br)c1Br
InChIInChI=1S/C7H7Br2N/c1-4-6(10)3-2-5(8)7(4)9/h2-3H,10H2,1H3
InChIKeyGIGLUVUFHSYEHD-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 3,4-dibromo-2-methylaniline?
The IUPAC name of 3,4-dibromo-2-methylaniline (CID 19379030) is 3,4-dibromo-2-methylaniline.
What is the SMILES notation for 3,4-dibromo-2-methylaniline?
The canonical SMILES for 3,4-dibromo-2-methylaniline is Cc1c(N)ccc(Br)c1Br.
What is the InChIKey of 3,4-dibromo-2-methylaniline?
The InChIKey is GIGLUVUFHSYEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2N/c1-4-6(10)3-2-5(8)7(4)9/h2-3H,10H2,1H3.
What are the key properties of 3,4-dibromo-2-methylaniline?
3,4-dibromo-2-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 3,4-dibromo-2-methylaniline is sourced from PubChem (CID 19379030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).