N-benzyl-2,4-dibromoaniline

C13H11Br2N — CID 19092629

IUPACN-benzyl-2,4-dibromoaniline
SMILESBrc1ccc(NCc2ccccc2)c(Br)c1
InChIInChI=1S/C13H11Br2N/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyBQAUUSBPRZCFFJ-UHFFFAOYSA-N
MW341.05 g/mol
LogP4.82
Rot. Bonds3

About N-benzyl-2,4-dibromoaniline

N-benzyl-2,4-dibromoaniline (PubChem CID 19092629) has the molecular formula C13H11Br2N and a molecular weight of 341.05 g/mol. Its IUPAC name is N-benzyl-2,4-dibromoaniline.

Molecular Properties

Compound NameN-benzyl-2,4-dibromoaniline
PubChem CID19092629
Molecular FormulaC13H11Br2N
Molecular Weight341.05 g/mol
Exact Mass338.93
IUPAC NameN-benzyl-2,4-dibromoaniline
SMILESBrc1ccc(NCc2ccccc2)c(Br)c1
InChIInChI=1S/C13H11Br2N/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyBQAUUSBPRZCFFJ-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.05
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dibromoaniline?
The IUPAC name of N-benzyl-2,4-dibromoaniline (CID 19092629) is N-benzyl-2,4-dibromoaniline.
What is the SMILES notation for N-benzyl-2,4-dibromoaniline?
The canonical SMILES for N-benzyl-2,4-dibromoaniline is Brc1ccc(NCc2ccccc2)c(Br)c1.
What is the InChIKey of N-benzyl-2,4-dibromoaniline?
The InChIKey is BQAUUSBPRZCFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2.
What are the key properties of N-benzyl-2,4-dibromoaniline?
N-benzyl-2,4-dibromoaniline has a molecular weight of 341.05 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dibromoaniline is sourced from PubChem (CID 19092629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).