4-bromo-N-(ethylideneamino)aniline

C8H9BrN2 — CID 85436473

IUPAC4-bromo-N-(ethylideneamino)aniline
SMILESCC=NNc1ccc(Br)cc1
InChIInChI=1S/C8H9BrN2/c1-2-10-11-8-5-3-7(9)4-6-8/h2-6,11H,1H3
InChIKeyAIJXHMWORXETBE-UHFFFAOYSA-N
MW213.08 g/mol
LogP2.87
Rot. Bonds2

About 4-bromo-N-(ethylideneamino)aniline

4-bromo-N-(ethylideneamino)aniline (PubChem CID 85436473) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 4-bromo-N-(ethylideneamino)aniline.

Molecular Properties

Compound Name4-bromo-N-(ethylideneamino)aniline
PubChem CID85436473
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name4-bromo-N-(ethylideneamino)aniline
SMILESCC=NNc1ccc(Br)cc1
InChIInChI=1S/C8H9BrN2/c1-2-10-11-8-5-3-7(9)4-6-8/h2-6,11H,1H3
InChIKeyAIJXHMWORXETBE-UHFFFAOYSA-N
XLogP2.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(ethylideneamino)aniline?
The IUPAC name of 4-bromo-N-(ethylideneamino)aniline (CID 85436473) is 4-bromo-N-(ethylideneamino)aniline.
What is the SMILES notation for 4-bromo-N-(ethylideneamino)aniline?
The canonical SMILES for 4-bromo-N-(ethylideneamino)aniline is CC=NNc1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(ethylideneamino)aniline?
The InChIKey is AIJXHMWORXETBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2/c1-2-10-11-8-5-3-7(9)4-6-8/h2-6,11H,1H3.
What are the key properties of 4-bromo-N-(ethylideneamino)aniline?
4-bromo-N-(ethylideneamino)aniline has a molecular weight of 213.08 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(ethylideneamino)aniline is sourced from PubChem (CID 85436473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).