chempirical

Butenafine

C23H27NCAS 101828-21-1317.48 g/mol

Open in Covalent MOL file
N
Tertiary amine

Properties

Molecular formula
C23H27N
Molar mass
317.48 g/mol
Exact mass
317.2143 Da
Melting point
200–202 °C
logP
5.77Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
101828-21-1
SMILES
CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
InChIKey
ABJKWBDEJIDSJZ-UHFFFAOYSA-N
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

Weigh it out

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Names and synonyms

3 names
  • 1-Naphthalenemethanamine, N-[[4-(1,1-dimethylethyl)phenyl]methyl]-N-methyl-
  • N-[[4-(1,1-Dimethylethyl)phenyl]methyl]-N-methyl-1-naphthalenemethanamine
  • 1-(4-tert-Butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine

Work with Butenafine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Butenafine hydrochloride101827-46-7Salt

Similar compounds

Naftifine65472-88-051 % similar Terbinafine91161-71-648 % similar Naftifine hydrochloride65473-14-548 % similar Terbinafine hydrochloride78628-80-545 % similar 1-(1-Naphthylmethyl)piperazine40675-81-839 % similar 1-(4-tert-Butylbenzyl)piperazine956-61-639 % similar 1-Ethylnaphthalene1127-76-039 % similar 1-(Bromomethyl)naphthalene3163-27-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook