N-[(4-bromophenyl)methylideneamino]aniline

C13H11BrN2 — CID 564223

IUPACN-[(4-bromophenyl)methylideneamino]aniline
SMILESBrc1ccc(C=NNc2ccccc2)cc1
InChIInChI=1S/C13H11BrN2/c14-12-8-6-11(7-9-12)10-15-16-13-4-2-1-3-5-13/h1-10,16H
InChIKeyIAKOZUYHSAFZOA-UHFFFAOYSA-N
MW275.15 g/mol
LogP3.90
Rot. Bonds3

About N-[(4-bromophenyl)methylideneamino]aniline

N-[(4-bromophenyl)methylideneamino]aniline (PubChem CID 564223) has the molecular formula C13H11BrN2 and a molecular weight of 275.15 g/mol. Its IUPAC name is N-[(4-bromophenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(4-bromophenyl)methylideneamino]aniline
PubChem CID564223
Molecular FormulaC13H11BrN2
Molecular Weight275.15 g/mol
Exact Mass274.01
IUPAC NameN-[(4-bromophenyl)methylideneamino]aniline
SMILESBrc1ccc(C=NNc2ccccc2)cc1
InChIInChI=1S/C13H11BrN2/c14-12-8-6-11(7-9-12)10-15-16-13-4-2-1-3-5-13/h1-10,16H
InChIKeyIAKOZUYHSAFZOA-UHFFFAOYSA-N
XLogP3.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 53.90
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 N-[(4-bromophenyl)methylideneamino]aniline?
The IUPAC name of N-[(4-bromophenyl)methylideneamino]aniline (CID 564223) is N-[(4-bromophenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(4-bromophenyl)methylideneamino]aniline?
The canonical SMILES for N-[(4-bromophenyl)methylideneamino]aniline is Brc1ccc(C=NNc2ccccc2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methylideneamino]aniline?
The InChIKey is IAKOZUYHSAFZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2/c14-12-8-6-11(7-9-12)10-15-16-13-4-2-1-3-5-13/h1-10,16H.
What are the key properties of N-[(4-bromophenyl)methylideneamino]aniline?
N-[(4-bromophenyl)methylideneamino]aniline has a molecular weight of 275.15 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methylideneamino]aniline is sourced from PubChem (CID 564223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).