Butenafine

C₂₃H₂₇N — CID 2484

About Butenafine

Butenafine (PubChem CID 2484) has the molecular formula C₂₃H₂₇N and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine.

Molecular Properties

• Compound Name: Butenafine
• PubChem CID: 2484
• Molecular Formula: C₂₃H₂₇N
• Molecular Weight: 317.48 g/mol
• Exact Mass: 317.21
• IUPAC Name: 1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine
• SMILES: CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
• InChI: InChI=1S/C23H27N/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20/h5-15H,16-17H2,1-4H3
• InChIKey: ABJKWBDEJIDSJZ-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	317.48
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Butenafine?

The IUPAC name of Butenafine (CID 2484) is 1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine.

What is the SMILES notation for Butenafine?

The canonical SMILES for Butenafine is CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12.

What is the InChIKey of Butenafine?

The InChIKey is ABJKWBDEJIDSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20/h5-15H,16-17H2,1-4H3.

What are the key properties of Butenafine?

Butenafine has a molecular weight of 317.48 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Butenafine is sourced from PubChem (CID 2484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2484 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 444 — approved-drug record (CC BY-SA 4.0)

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