4-ethenyl-3-(2-phenylethylideneamino)aniline

C16H16N2 — CID 91308422

IUPAC4-ethenyl-3-(2-phenylethylideneamino)aniline
SMILESC=Cc1ccc(N)cc1/N=C/Cc1ccccc1
InChIInChI=1S/C16H16N2/c1-2-14-8-9-15(17)12-16(14)18-11-10-13-6-4-3-5-7-13/h2-9,11-12H,1,10,17H2/b18-11+
InChIKeyFRMSIYLSMSBYIY-WOJGMQOQSA-N
MW236.32 g/mol
LogP3.86
Rot. Bonds4

About 4-ethenyl-3-(2-phenylethylideneamino)aniline

4-ethenyl-3-(2-phenylethylideneamino)aniline (PubChem CID 91308422) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-ethenyl-3-(2-phenylethylideneamino)aniline.

Molecular Properties

Compound Name4-ethenyl-3-(2-phenylethylideneamino)aniline
PubChem CID91308422
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name4-ethenyl-3-(2-phenylethylideneamino)aniline
SMILESC=Cc1ccc(N)cc1/N=C/Cc1ccccc1
InChIInChI=1S/C16H16N2/c1-2-14-8-9-15(17)12-16(14)18-11-10-13-6-4-3-5-7-13/h2-9,11-12H,1,10,17H2/b18-11+
InChIKeyFRMSIYLSMSBYIY-WOJGMQOQSA-N
XLogP3.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.86
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-ethenyl-3-(2-phenylethylideneamino)aniline?
The IUPAC name of 4-ethenyl-3-(2-phenylethylideneamino)aniline (CID 91308422) is 4-ethenyl-3-(2-phenylethylideneamino)aniline.
What is the SMILES notation for 4-ethenyl-3-(2-phenylethylideneamino)aniline?
The canonical SMILES for 4-ethenyl-3-(2-phenylethylideneamino)aniline is C=Cc1ccc(N)cc1/N=C/Cc1ccccc1.
What is the InChIKey of 4-ethenyl-3-(2-phenylethylideneamino)aniline?
The InChIKey is FRMSIYLSMSBYIY-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H16N2/c1-2-14-8-9-15(17)12-16(14)18-11-10-13-6-4-3-5-7-13/h2-9,11-12H,1,10,17H2/b18-11+.
What are the key properties of 4-ethenyl-3-(2-phenylethylideneamino)aniline?
4-ethenyl-3-(2-phenylethylideneamino)aniline has a molecular weight of 236.32 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-(2-phenylethylideneamino)aniline is sourced from PubChem (CID 91308422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).