2-(phenyliminomethyl)aniline

C13H12N2 — CID 13163168

IUPAC2-(phenyliminomethyl)aniline
SMILESNc1ccccc1/C=N/c1ccccc1
InChIInChI=1S/C13H12N2/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-10H,14H2/b15-10+
InChIKeyUOZOWCBECLFNJY-XNTDXEJSSA-N
MW196.25 g/mol
LogP3.02
Rot. Bonds2

About 2-(phenyliminomethyl)aniline

2-(phenyliminomethyl)aniline (PubChem CID 13163168) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(phenyliminomethyl)aniline.

Molecular Properties

Compound Name2-(phenyliminomethyl)aniline
PubChem CID13163168
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name2-(phenyliminomethyl)aniline
SMILESNc1ccccc1/C=N/c1ccccc1
InChIInChI=1S/C13H12N2/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-10H,14H2/b15-10+
InChIKeyUOZOWCBECLFNJY-XNTDXEJSSA-N
XLogP3.02
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(phenyliminomethyl)aniline?
The IUPAC name of 2-(phenyliminomethyl)aniline (CID 13163168) is 2-(phenyliminomethyl)aniline.
What is the SMILES notation for 2-(phenyliminomethyl)aniline?
The canonical SMILES for 2-(phenyliminomethyl)aniline is Nc1ccccc1/C=N/c1ccccc1.
What is the InChIKey of 2-(phenyliminomethyl)aniline?
The InChIKey is UOZOWCBECLFNJY-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H12N2/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-10H,14H2/b15-10+.
What are the key properties of 2-(phenyliminomethyl)aniline?
2-(phenyliminomethyl)aniline has a molecular weight of 196.25 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenyliminomethyl)aniline is sourced from PubChem (CID 13163168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).