N-benzyl-N'-phenylmethanediamine

C₁₄H₁₆N₂ — CID 151589453

About N-benzyl-N'-phenylmethanediamine

N-benzyl-N'-phenylmethanediamine (PubChem CID 151589453) has the molecular formula C₁₄H₁₆N₂ and a molecular weight of 212.30 g/mol. Its IUPAC name is N-benzyl-N'-phenylmethanediamine.

Molecular Properties

• Compound Name: N-benzyl-N'-phenylmethanediamine
• PubChem CID: 151589453
• Molecular Formula: C₁₄H₁₆N₂
• Molecular Weight: 212.30 g/mol
• Exact Mass: 212.13
• IUPAC Name: N-benzyl-N'-phenylmethanediamine
• SMILES: c1ccc(CNCNc2ccccc2)cc1
• InChI: InChI=1S/C14H16N2/c1-3-7-13(8-4-1)11-15-12-16-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
• InChIKey: DIIPUOAUJMFOOW-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 24.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	212.30
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-phenylmethanediamine?

The IUPAC name of N-benzyl-N'-phenylmethanediamine (CID 151589453) is N-benzyl-N'-phenylmethanediamine.

What is the SMILES notation for N-benzyl-N'-phenylmethanediamine?

The canonical SMILES for N-benzyl-N'-phenylmethanediamine is c1ccc(CNCNc2ccccc2)cc1.

What is the InChIKey of N-benzyl-N'-phenylmethanediamine?

The InChIKey is DIIPUOAUJMFOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-3-7-13(8-4-1)11-15-12-16-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2.

What are the key properties of N-benzyl-N'-phenylmethanediamine?

N-benzyl-N'-phenylmethanediamine has a molecular weight of 212.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N'-phenylmethanediamine is sourced from PubChem (CID 151589453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151589453 — identifiers, structure, computed properties (public domain)

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