(E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine

C₁₅H₂₂N₂O — CID 141288371

About (E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine

(E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine (PubChem CID 141288371) has the molecular formula C₁₅H₂₂N₂O and a molecular weight of 246.35 g/mol. Its IUPAC name is (E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine.

Molecular Properties

• Compound Name: (E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine
• PubChem CID: 141288371
• Molecular Formula: C₁₅H₂₂N₂O
• Molecular Weight: 246.35 g/mol
• Exact Mass: 246.17
• IUPAC Name: (E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine
• SMILES: Cc1ccc(C)c(/C=N/OCCN2CCCC2)c1
• InChI: InChI=1S/C15H22N2O/c1-13-5-6-14(2)15(11-13)12-16-18-10-9-17-7-3-4-8-17/h5-6,11-12H,3-4,7-10H2,1-2H3/b16-12+
• InChIKey: LDVBYNCQPXIXGV-FOWTUZBSSA-N
• XLogP: 2.75
• TPSA: 24.83 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	246.35
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine?

The IUPAC name of (E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine (CID 141288371) is (E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine.

What is the SMILES notation for (E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine?

The canonical SMILES for (E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine is Cc1ccc(C)c(/C=N/OCCN2CCCC2)c1.

What is the InChIKey of (E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine?

The InChIKey is LDVBYNCQPXIXGV-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H22N2O/c1-13-5-6-14(2)15(11-13)12-16-18-10-9-17-7-3-4-8-17/h5-6,11-12H,3-4,7-10H2,1-2H3/b16-12+.

What are the key properties of (E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine?

(E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine has a molecular weight of 246.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine is sourced from PubChem (CID 141288371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141288371 — identifiers, structure, computed properties (public domain)

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