N-[(E)-1,2-diphenylethylideneamino]-4-methylaniline

C21H20N2 — CID 135051683

IUPACN-[(E)-1,2-diphenylethylideneamino]-4-methylaniline
SMILESCc1ccc(N/N=C(\Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2/c1-17-12-14-20(15-13-17)22-23-21(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-15,22H,16H2,1H3/b23-21+
InChIKeyDBJOJQFNZLSRDV-XTQSDGFTSA-N
MW300.41 g/mol
LogP5.05
Rot. Bonds5

About N-[(E)-1,2-diphenylethylideneamino]-4-methylaniline

N-[(E)-1,2-diphenylethylideneamino]-4-methylaniline (PubChem CID 135051683) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[(E)-1,2-diphenylethylideneamino]-4-methylaniline.

Molecular Properties

Compound NameN-[(E)-1,2-diphenylethylideneamino]-4-methylaniline
PubChem CID135051683
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC NameN-[(E)-1,2-diphenylethylideneamino]-4-methylaniline
SMILESCc1ccc(N/N=C(\Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2/c1-17-12-14-20(15-13-17)22-23-21(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-15,22H,16H2,1H3/b23-21+
InChIKeyDBJOJQFNZLSRDV-XTQSDGFTSA-N
XLogP5.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.41
LogP ≤ 55.05
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)-1,2-diphenylethylideneamino]-4-methylaniline?
The IUPAC name of N-[(E)-1,2-diphenylethylideneamino]-4-methylaniline (CID 135051683) is N-[(E)-1,2-diphenylethylideneamino]-4-methylaniline.
What is the SMILES notation for N-[(E)-1,2-diphenylethylideneamino]-4-methylaniline?
The canonical SMILES for N-[(E)-1,2-diphenylethylideneamino]-4-methylaniline is Cc1ccc(N/N=C(\Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-1,2-diphenylethylideneamino]-4-methylaniline?
The InChIKey is DBJOJQFNZLSRDV-XTQSDGFTSA-N. The full InChI is InChI=1S/C21H20N2/c1-17-12-14-20(15-13-17)22-23-21(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-15,22H,16H2,1H3/b23-21+.
What are the key properties of N-[(E)-1,2-diphenylethylideneamino]-4-methylaniline?
N-[(E)-1,2-diphenylethylideneamino]-4-methylaniline has a molecular weight of 300.41 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,2-diphenylethylideneamino]-4-methylaniline is sourced from PubChem (CID 135051683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).