2-[[2-(benzylamino)phenyl]diazenyl]aniline

C19H18N4 — CID 146170663

IUPAC2-[[2-(benzylamino)phenyl]diazenyl]aniline
SMILESNc1ccccc1/N=N/c1ccccc1NCc1ccccc1
InChIInChI=1S/C19H18N4/c20-16-10-4-5-11-17(16)22-23-19-13-7-6-12-18(19)21-14-15-8-2-1-3-9-15/h1-13,21H,14,20H2/b23-22+
InChIKeyNKNNKMDMIODYQZ-GHVJWSGMSA-N
MW302.38 g/mol
LogP5.30
Rot. Bonds5

About 2-[[2-(benzylamino)phenyl]diazenyl]aniline

2-[[2-(benzylamino)phenyl]diazenyl]aniline (PubChem CID 146170663) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[[2-(benzylamino)phenyl]diazenyl]aniline.

Molecular Properties

Compound Name2-[[2-(benzylamino)phenyl]diazenyl]aniline
PubChem CID146170663
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name2-[[2-(benzylamino)phenyl]diazenyl]aniline
SMILESNc1ccccc1/N=N/c1ccccc1NCc1ccccc1
InChIInChI=1S/C19H18N4/c20-16-10-4-5-11-17(16)22-23-19-13-7-6-12-18(19)21-14-15-8-2-1-3-9-15/h1-13,21H,14,20H2/b23-22+
InChIKeyNKNNKMDMIODYQZ-GHVJWSGMSA-N
XLogP5.30
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.38
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzylamino)phenyl]diazenyl]aniline?
The IUPAC name of 2-[[2-(benzylamino)phenyl]diazenyl]aniline (CID 146170663) is 2-[[2-(benzylamino)phenyl]diazenyl]aniline.
What is the SMILES notation for 2-[[2-(benzylamino)phenyl]diazenyl]aniline?
The canonical SMILES for 2-[[2-(benzylamino)phenyl]diazenyl]aniline is Nc1ccccc1/N=N/c1ccccc1NCc1ccccc1.
What is the InChIKey of 2-[[2-(benzylamino)phenyl]diazenyl]aniline?
The InChIKey is NKNNKMDMIODYQZ-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H18N4/c20-16-10-4-5-11-17(16)22-23-19-13-7-6-12-18(19)21-14-15-8-2-1-3-9-15/h1-13,21H,14,20H2/b23-22+.
What are the key properties of 2-[[2-(benzylamino)phenyl]diazenyl]aniline?
2-[[2-(benzylamino)phenyl]diazenyl]aniline has a molecular weight of 302.38 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzylamino)phenyl]diazenyl]aniline is sourced from PubChem (CID 146170663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).