2,5-dibromo-6-methylcyclohexa-2,4-dien-1-amine

C7H9Br2N — CID 89490417

IUPAC2,5-dibromo-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1C(Br)=CC=C(Br)C1N
InChIInChI=1S/C7H9Br2N/c1-4-5(8)2-3-6(9)7(4)10/h2-4,7H,10H2,1H3
InChIKeyLFBAHNAZNJPTPX-UHFFFAOYSA-N
MW266.96 g/mol
LogP2.52
Rot. Bonds

About 2,5-dibromo-6-methylcyclohexa-2,4-dien-1-amine

2,5-dibromo-6-methylcyclohexa-2,4-dien-1-amine (PubChem CID 89490417) has the molecular formula C7H9Br2N and a molecular weight of 266.96 g/mol. Its IUPAC name is 2,5-dibromo-6-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2,5-dibromo-6-methylcyclohexa-2,4-dien-1-amine
PubChem CID89490417
Molecular FormulaC7H9Br2N
Molecular Weight266.96 g/mol
Exact Mass264.91
IUPAC Name2,5-dibromo-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1C(Br)=CC=C(Br)C1N
InChIInChI=1S/C7H9Br2N/c1-4-5(8)2-3-6(9)7(4)10/h2-4,7H,10H2,1H3
InChIKeyLFBAHNAZNJPTPX-UHFFFAOYSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.96
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-6-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2,5-dibromo-6-methylcyclohexa-2,4-dien-1-amine (CID 89490417) is 2,5-dibromo-6-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2,5-dibromo-6-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2,5-dibromo-6-methylcyclohexa-2,4-dien-1-amine is CC1C(Br)=CC=C(Br)C1N.
What is the InChIKey of 2,5-dibromo-6-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is LFBAHNAZNJPTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Br2N/c1-4-5(8)2-3-6(9)7(4)10/h2-4,7H,10H2,1H3.
What are the key properties of 2,5-dibromo-6-methylcyclohexa-2,4-dien-1-amine?
2,5-dibromo-6-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 266.96 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-6-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89490417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).