N-benzyl-N-[(E)-benzylideneamino]-1-phenylmethanamine

C21H20N2 — CID 6861581

IUPACN-benzyl-N-[(E)-benzylideneamino]-1-phenylmethanamine
SMILESC(=N/N(Cc1ccccc1)Cc1ccccc1)\c1ccccc1
InChIInChI=1S/C21H20N2/c1-4-10-19(11-5-1)16-22-23(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-16H,17-18H2/b22-16+
InChIKeyGLRHIFIUOXQKIX-CJLVFECKSA-N
MW300.41 g/mol
LogP4.72
Rot. Bonds6

About N-benzyl-N-[(E)-benzylideneamino]-1-phenylmethanamine

N-benzyl-N-[(E)-benzylideneamino]-1-phenylmethanamine (PubChem CID 6861581) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-benzyl-N-[(E)-benzylideneamino]-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(E)-benzylideneamino]-1-phenylmethanamine
PubChem CID6861581
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC NameN-benzyl-N-[(E)-benzylideneamino]-1-phenylmethanamine
SMILESC(=N/N(Cc1ccccc1)Cc1ccccc1)\c1ccccc1
InChIInChI=1S/C21H20N2/c1-4-10-19(11-5-1)16-22-23(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-16H,17-18H2/b22-16+
InChIKeyGLRHIFIUOXQKIX-CJLVFECKSA-N
XLogP4.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.72
H-Bond Donors ≤ 50
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'}

Analyze N-benzyl-N-[(E)-benzylideneamino]-1-phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(E)-benzylideneamino]-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-[(E)-benzylideneamino]-1-phenylmethanamine (CID 6861581) is N-benzyl-N-[(E)-benzylideneamino]-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-[(E)-benzylideneamino]-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-[(E)-benzylideneamino]-1-phenylmethanamine is C(=N/N(Cc1ccccc1)Cc1ccccc1)\c1ccccc1.
What is the InChIKey of N-benzyl-N-[(E)-benzylideneamino]-1-phenylmethanamine?
The InChIKey is GLRHIFIUOXQKIX-CJLVFECKSA-N. The full InChI is InChI=1S/C21H20N2/c1-4-10-19(11-5-1)16-22-23(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-16H,17-18H2/b22-16+.
What are the key properties of N-benzyl-N-[(E)-benzylideneamino]-1-phenylmethanamine?
N-benzyl-N-[(E)-benzylideneamino]-1-phenylmethanamine has a molecular weight of 300.41 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(E)-benzylideneamino]-1-phenylmethanamine is sourced from PubChem (CID 6861581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).