N-[(E)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]aniline

C22H20N2 — CID 118706106

IUPACN-[(E)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]aniline
SMILESCc1ccc(/C=C/C(=N\Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2/c1-18-12-14-19(15-13-18)16-17-22(20-8-4-2-5-9-20)24-23-21-10-6-3-7-11-21/h2-17,23H,1H3/b17-16+,24-22+
InChIKeyVFQQXYGTIDGKAW-KOARNGDQSA-N
MW312.42 g/mol
LogP5.52
Rot. Bonds5

About N-[(E)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]aniline

N-[(E)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]aniline (PubChem CID 118706106) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]aniline.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]aniline
PubChem CID118706106
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC NameN-[(E)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]aniline
SMILESCc1ccc(/C=C/C(=N\Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2/c1-18-12-14-19(15-13-18)16-17-22(20-8-4-2-5-9-20)24-23-21-10-6-3-7-11-21/h2-17,23H,1H3/b17-16+,24-22+
InChIKeyVFQQXYGTIDGKAW-KOARNGDQSA-N
XLogP5.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.52
H-Bond Donors ≤ 51
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)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]aniline?
The IUPAC name of N-[(E)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]aniline (CID 118706106) is N-[(E)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]aniline.
What is the SMILES notation for N-[(E)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]aniline?
The canonical SMILES for N-[(E)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]aniline is Cc1ccc(/C=C/C(=N\Nc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]aniline?
The InChIKey is VFQQXYGTIDGKAW-KOARNGDQSA-N. The full InChI is InChI=1S/C22H20N2/c1-18-12-14-19(15-13-18)16-17-22(20-8-4-2-5-9-20)24-23-21-10-6-3-7-11-21/h2-17,23H,1H3/b17-16+,24-22+.
What are the key properties of N-[(E)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]aniline?
N-[(E)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]aniline has a molecular weight of 312.42 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]aniline is sourced from PubChem (CID 118706106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).