N-[(E)-benzylideneamino]-N-phenylaniline

C19H16N2 — CID 5340583

IUPACN-[(E)-benzylideneamino]-N-phenylaniline
SMILESC(=N/N(c1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C19H16N2/c1-4-10-17(11-5-1)16-20-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H/b20-16+
InChIKeyVREONUZGDYDJLN-CAPFRKAQSA-N
MW272.35 g/mol
LogP4.86
Rot. Bonds4

About N-[(E)-benzylideneamino]-N-phenylaniline

N-[(E)-benzylideneamino]-N-phenylaniline (PubChem CID 5340583) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-N-phenylaniline.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-N-phenylaniline
PubChem CID5340583
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC NameN-[(E)-benzylideneamino]-N-phenylaniline
SMILESC(=N/N(c1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C19H16N2/c1-4-10-17(11-5-1)16-20-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H/b20-16+
InChIKeyVREONUZGDYDJLN-CAPFRKAQSA-N
XLogP4.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.86
H-Bond Donors ≤ 50
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-[(E)-benzylideneamino]-N-phenylaniline?
The IUPAC name of N-[(E)-benzylideneamino]-N-phenylaniline (CID 5340583) is N-[(E)-benzylideneamino]-N-phenylaniline.
What is the SMILES notation for N-[(E)-benzylideneamino]-N-phenylaniline?
The canonical SMILES for N-[(E)-benzylideneamino]-N-phenylaniline is C(=N/N(c1ccccc1)c1ccccc1)\c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-N-phenylaniline?
The InChIKey is VREONUZGDYDJLN-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H16N2/c1-4-10-17(11-5-1)16-20-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H/b20-16+.
What are the key properties of N-[(E)-benzylideneamino]-N-phenylaniline?
N-[(E)-benzylideneamino]-N-phenylaniline has a molecular weight of 272.35 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-N-phenylaniline is sourced from PubChem (CID 5340583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).