2,6-dibromo-4-[(E)-inden-1-ylidenemethyl]aniline

C16H11Br2N — CID 5381820

IUPAC2,6-dibromo-4-[(E)-inden-1-ylidenemethyl]aniline
SMILESNc1c(Br)cc(/C=C2\C=Cc3ccccc32)cc1Br
InChIInChI=1S/C16H11Br2N/c17-14-8-10(9-15(18)16(14)19)7-12-6-5-11-3-1-2-4-13(11)12/h1-9H,19H2/b12-7+
InChIKeyMRFOAGKTFFYICJ-KPKJPENVSA-N
MW377.08 g/mol
LogP5.36
Rot. Bonds1

About 2,6-dibromo-4-[(E)-inden-1-ylidenemethyl]aniline

2,6-dibromo-4-[(E)-inden-1-ylidenemethyl]aniline (PubChem CID 5381820) has the molecular formula C16H11Br2N and a molecular weight of 377.08 g/mol. Its IUPAC name is 2,6-dibromo-4-[(E)-inden-1-ylidenemethyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-4-[(E)-inden-1-ylidenemethyl]aniline
PubChem CID5381820
Molecular FormulaC16H11Br2N
Molecular Weight377.08 g/mol
Exact Mass374.93
IUPAC Name2,6-dibromo-4-[(E)-inden-1-ylidenemethyl]aniline
SMILESNc1c(Br)cc(/C=C2\C=Cc3ccccc32)cc1Br
InChIInChI=1S/C16H11Br2N/c17-14-8-10(9-15(18)16(14)19)7-12-6-5-11-3-1-2-4-13(11)12/h1-9H,19H2/b12-7+
InChIKeyMRFOAGKTFFYICJ-KPKJPENVSA-N
XLogP5.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.08
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(E)-inden-1-ylidenemethyl]aniline?
The IUPAC name of 2,6-dibromo-4-[(E)-inden-1-ylidenemethyl]aniline (CID 5381820) is 2,6-dibromo-4-[(E)-inden-1-ylidenemethyl]aniline.
What is the SMILES notation for 2,6-dibromo-4-[(E)-inden-1-ylidenemethyl]aniline?
The canonical SMILES for 2,6-dibromo-4-[(E)-inden-1-ylidenemethyl]aniline is Nc1c(Br)cc(/C=C2\C=Cc3ccccc32)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[(E)-inden-1-ylidenemethyl]aniline?
The InChIKey is MRFOAGKTFFYICJ-KPKJPENVSA-N. The full InChI is InChI=1S/C16H11Br2N/c17-14-8-10(9-15(18)16(14)19)7-12-6-5-11-3-1-2-4-13(11)12/h1-9H,19H2/b12-7+.
What are the key properties of 2,6-dibromo-4-[(E)-inden-1-ylidenemethyl]aniline?
2,6-dibromo-4-[(E)-inden-1-ylidenemethyl]aniline has a molecular weight of 377.08 g/mol, XLogP of 5.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(E)-inden-1-ylidenemethyl]aniline is sourced from PubChem (CID 5381820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).