1-phenyl-N-[2-(1-phenylethylideneamino)phenyl]ethanimine

C22H20N2 — CID 46226531

IUPAC1-phenyl-N-[2-(1-phenylethylideneamino)phenyl]ethanimine
SMILESC/C(=N\c1ccccc1/N=C(\C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2/c1-17(19-11-5-3-6-12-19)23-21-15-9-10-16-22(21)24-18(2)20-13-7-4-8-14-20/h3-16H,1-2H3/b23-17+,24-18+
InChIKeyPFCURHIIXBZZGG-GJHDBBOXSA-N
MW312.42 g/mol
LogP5.97
Rot. Bonds4

About 1-phenyl-N-[2-(1-phenylethylideneamino)phenyl]ethanimine

1-phenyl-N-[2-(1-phenylethylideneamino)phenyl]ethanimine (PubChem CID 46226531) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-phenyl-N-[2-(1-phenylethylideneamino)phenyl]ethanimine.

Molecular Properties

Compound Name1-phenyl-N-[2-(1-phenylethylideneamino)phenyl]ethanimine
PubChem CID46226531
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name1-phenyl-N-[2-(1-phenylethylideneamino)phenyl]ethanimine
SMILESC/C(=N\c1ccccc1/N=C(\C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2/c1-17(19-11-5-3-6-12-19)23-21-15-9-10-16-22(21)24-18(2)20-13-7-4-8-14-20/h3-16H,1-2H3/b23-17+,24-18+
InChIKeyPFCURHIIXBZZGG-GJHDBBOXSA-N
XLogP5.97
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[2-(1-phenylethylideneamino)phenyl]ethanimine?
The IUPAC name of 1-phenyl-N-[2-(1-phenylethylideneamino)phenyl]ethanimine (CID 46226531) is 1-phenyl-N-[2-(1-phenylethylideneamino)phenyl]ethanimine.
What is the SMILES notation for 1-phenyl-N-[2-(1-phenylethylideneamino)phenyl]ethanimine?
The canonical SMILES for 1-phenyl-N-[2-(1-phenylethylideneamino)phenyl]ethanimine is C/C(=N\c1ccccc1/N=C(\C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[2-(1-phenylethylideneamino)phenyl]ethanimine?
The InChIKey is PFCURHIIXBZZGG-GJHDBBOXSA-N. The full InChI is InChI=1S/C22H20N2/c1-17(19-11-5-3-6-12-19)23-21-15-9-10-16-22(21)24-18(2)20-13-7-4-8-14-20/h3-16H,1-2H3/b23-17+,24-18+.
What are the key properties of 1-phenyl-N-[2-(1-phenylethylideneamino)phenyl]ethanimine?
1-phenyl-N-[2-(1-phenylethylideneamino)phenyl]ethanimine has a molecular weight of 312.42 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[2-(1-phenylethylideneamino)phenyl]ethanimine is sourced from PubChem (CID 46226531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).