4-(benzyliminomethyl)aniline

C14H14N2 — CID 57346783

IUPAC4-(benzyliminomethyl)aniline
SMILESNc1ccc(/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C14H14N2/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,11H,10,15H2/b16-11+
InChIKeyWUYNTJROFFDFCR-LFIBNONCSA-N
MW210.28 g/mol
LogP2.89
Rot. Bonds3

About 4-(benzyliminomethyl)aniline

4-(benzyliminomethyl)aniline (PubChem CID 57346783) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(benzyliminomethyl)aniline.

Molecular Properties

Compound Name4-(benzyliminomethyl)aniline
PubChem CID57346783
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name4-(benzyliminomethyl)aniline
SMILESNc1ccc(/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C14H14N2/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,11H,10,15H2/b16-11+
InChIKeyWUYNTJROFFDFCR-LFIBNONCSA-N
XLogP2.89
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.89
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 4-(benzyliminomethyl)aniline?
The IUPAC name of 4-(benzyliminomethyl)aniline (CID 57346783) is 4-(benzyliminomethyl)aniline.
What is the SMILES notation for 4-(benzyliminomethyl)aniline?
The canonical SMILES for 4-(benzyliminomethyl)aniline is Nc1ccc(/C=N/Cc2ccccc2)cc1.
What is the InChIKey of 4-(benzyliminomethyl)aniline?
The InChIKey is WUYNTJROFFDFCR-LFIBNONCSA-N. The full InChI is InChI=1S/C14H14N2/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,11H,10,15H2/b16-11+.
What are the key properties of 4-(benzyliminomethyl)aniline?
4-(benzyliminomethyl)aniline has a molecular weight of 210.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzyliminomethyl)aniline is sourced from PubChem (CID 57346783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).