chempirical

Terbinafine

C21H25NCAS 91161-71-6291.44 g/mol

Open in Covalent MOL file
N
AlkeneAlkyneTertiary amine

Properties

Molecular formula
C21H25N
Molar mass
291.44 g/mol
Exact mass
291.1987 Da
Melting point
203–205 °C
logP
4.88Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
91161-71-6
SMILES
CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12
InChIKey
DOMXUEMWDBAQBQ-WEVVVXLNSA-N
InChI
InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+

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Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • 1-Naphthalenemethanamine, N-[(2E)-6,6-dimethyl-2-hepten-4-yn-1-yl]-N-methyl-
  • 1-Naphthalenemethanamine, N-(6,6-dimethyl-2-hepten-4-ynyl)-N-methyl-, (E)-
  • 1-Naphthalenemethanamine, N-[(2E)-6,6-dimethyl-2-hepten-4-ynyl]-N-methyl-
  • N-[(2E)-6,6-Dimethyl-2-hepten-4-yn-1-yl]-N-methyl-1-naphthalenemethanamine
  • SF 86-327
  • Daskil
  • Lamasil
  • Eksifine
  • Mycoterbin
  • Fungoterbin
  • YY 1084
  • Terbisil
  • Terbinol
  • TDT 067
  • Tebina
  • DA 5505

Work with Terbinafine

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

Similar compounds

Terbinafine hydrochloride78628-80-593 % similar Naftifine65472-88-058 % similar Naftifine hydrochloride65473-14-555 % similar Butenafine101828-21-148 % similar Butenafine hydrochloride101827-46-745 % similar 1-Ethylnaphthalene1127-76-035 % similar 1-Hydroxy-6,6-dimethyl-2-heptene-4-yne114311-70-534 % similar 1-Bromo-6,6-dimethylhept-2-en-4-yne126764-15-634 % similar

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

Same formula

8Cb52709-84-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook