2-bromo-6-methylbenzene-1,4-diamine

C7H9BrN2 — CID 18793325

IUPAC2-bromo-6-methylbenzene-1,4-diamine
SMILESCc1cc(N)cc(Br)c1N
InChIInChI=1S/C7H9BrN2/c1-4-2-5(9)3-6(8)7(4)10/h2-3H,9-10H2,1H3
InChIKeyCNZINCHZFMLNEP-UHFFFAOYSA-N
MW201.07 g/mol
LogP1.92
Rot. Bonds

About 2-bromo-6-methylbenzene-1,4-diamine

2-bromo-6-methylbenzene-1,4-diamine (PubChem CID 18793325) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 2-bromo-6-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-bromo-6-methylbenzene-1,4-diamine
PubChem CID18793325
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name2-bromo-6-methylbenzene-1,4-diamine
SMILESCc1cc(N)cc(Br)c1N
InChIInChI=1S/C7H9BrN2/c1-4-2-5(9)3-6(8)7(4)10/h2-3H,9-10H2,1H3
InChIKeyCNZINCHZFMLNEP-UHFFFAOYSA-N
XLogP1.92
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-bromo-6-methylbenzene-1,4-diamine?
The IUPAC name of 2-bromo-6-methylbenzene-1,4-diamine (CID 18793325) is 2-bromo-6-methylbenzene-1,4-diamine.
What is the SMILES notation for 2-bromo-6-methylbenzene-1,4-diamine?
The canonical SMILES for 2-bromo-6-methylbenzene-1,4-diamine is Cc1cc(N)cc(Br)c1N.
What is the InChIKey of 2-bromo-6-methylbenzene-1,4-diamine?
The InChIKey is CNZINCHZFMLNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c1-4-2-5(9)3-6(8)7(4)10/h2-3H,9-10H2,1H3.
What are the key properties of 2-bromo-6-methylbenzene-1,4-diamine?
2-bromo-6-methylbenzene-1,4-diamine has a molecular weight of 201.07 g/mol, XLogP of 1.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylbenzene-1,4-diamine is sourced from PubChem (CID 18793325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).