N-Methyl-N-(naphthalen-1-ylmethyl)-1-(4-tert-butylphenyl)methanamine

The Butenafine, with the CAS registry number 101828-21-1, is also known as N-(p-tert-Butylbenzyl)-N-methyl-1-naphthalenemethylamine. This chemical's molecular formula is C₂₃H₂₇N and molecular weight is 317.47. What's more, its systematic name is N-Methyl-1-[4-(2-methyl-2-propanyl)phenyl]-N-(1-naphthylmethyl)methanamine. This chemical is studied on experimental dermatophytosis. It has superior fungicidal activity against this group of fungi than terbinafine, naftifine, clotrimazole, and tolnaftate. It also displays superior activity against Candida albicans than terbinafine and naftifine.

Physical properties of Butenafine are: (1)ACD/LogP: 6.004; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 5.41; (5)ACD/BCF (pH 5.5): 108.55; (6)ACD/BCF (pH 7.4): 5464.77; (7)ACD/KOC (pH 5.5): 221.68; (8)ACD/KOC (pH 7.4): 11160.29; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 104.873 cm³; (15)Molar Volume: 307.516 cm³; (16)Polarizability: 41.575×10^-24cm³; (17)Surface Tension: 40.0 dyne/cm; (18)Density: 1.032 g/cm³; (19)Flash Point: 187.687 °C; (20)Enthalpy of Vaporization: 68.085 kJ/mol; (21)Boiling Point: 426.094 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N(C)(Cc1ccc(cc1)C(C)(C)C)Cc3c2ccccc2ccc3
(2)Std. 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
(3)Std. InChIKey: ABJKWBDEJIDSJZ-UHFFFAOYSA-N