2-(2-amino-6-bromophenyl)-3-bromoaniline

C12H10Br2N2 — CID 14024662

IUPAC2-(2-amino-6-bromophenyl)-3-bromoaniline
SMILESNc1cccc(Br)c1-c1c(N)cccc1Br
InChIInChI=1S/C12H10Br2N2/c13-7-3-1-5-9(15)11(7)12-8(14)4-2-6-10(12)16/h1-6H,15-16H2
InChIKeyLJMWZSDTLKWLDQ-UHFFFAOYSA-N
MW342.03 g/mol
LogP4.04
Rot. Bonds1

About 2-(2-amino-6-bromophenyl)-3-bromoaniline

2-(2-amino-6-bromophenyl)-3-bromoaniline (PubChem CID 14024662) has the molecular formula C12H10Br2N2 and a molecular weight of 342.03 g/mol. Its IUPAC name is 2-(2-amino-6-bromophenyl)-3-bromoaniline.

Molecular Properties

Compound Name2-(2-amino-6-bromophenyl)-3-bromoaniline
PubChem CID14024662
Molecular FormulaC12H10Br2N2
Molecular Weight342.03 g/mol
Exact Mass339.92
IUPAC Name2-(2-amino-6-bromophenyl)-3-bromoaniline
SMILESNc1cccc(Br)c1-c1c(N)cccc1Br
InChIInChI=1S/C12H10Br2N2/c13-7-3-1-5-9(15)11(7)12-8(14)4-2-6-10(12)16/h1-6H,15-16H2
InChIKeyLJMWZSDTLKWLDQ-UHFFFAOYSA-N
XLogP4.04
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.03
LogP ≤ 54.04
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-(2-amino-6-bromophenyl)-3-bromoaniline?
The IUPAC name of 2-(2-amino-6-bromophenyl)-3-bromoaniline (CID 14024662) is 2-(2-amino-6-bromophenyl)-3-bromoaniline.
What is the SMILES notation for 2-(2-amino-6-bromophenyl)-3-bromoaniline?
The canonical SMILES for 2-(2-amino-6-bromophenyl)-3-bromoaniline is Nc1cccc(Br)c1-c1c(N)cccc1Br.
What is the InChIKey of 2-(2-amino-6-bromophenyl)-3-bromoaniline?
The InChIKey is LJMWZSDTLKWLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2/c13-7-3-1-5-9(15)11(7)12-8(14)4-2-6-10(12)16/h1-6H,15-16H2.
What are the key properties of 2-(2-amino-6-bromophenyl)-3-bromoaniline?
2-(2-amino-6-bromophenyl)-3-bromoaniline has a molecular weight of 342.03 g/mol, XLogP of 4.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-bromophenyl)-3-bromoaniline is sourced from PubChem (CID 14024662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).