Terbinafine

C₂₁H₂₅NCAS 91161-71-6291.44 g/mol

Open in Covalent MOL file

Alkene Alkyne Tertiary amine

Properties

Molecular formula: C₂₁H₂₅N
Molar mass: 291.44 g/mol
Exact mass: 291.1987 Da
Melting point: 203–205 °C
pKa: 7.05
logP: 4.88Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H361d Suspected of damaging the unborn child33.3% of notifiers
H362 May cause harm to breast-fed children33.3% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure33.3% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P263, P264, P264+P265, P270, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

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+

Weigh it out

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

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.

Terbinafine hydrochloride78628-80-5Salt

Similar compounds

Naftifine65472-88-058 % similar Naftifine hydrochloride65473-14-555 % similar Butenafine101828-21-148 % similar Butenafine hydrochloride101827-46-745 % similar 1-(1-Naphthylmethyl)piperazine40675-81-835 % similar 1-Ethylnaphthalene1127-76-035 % similar 1-(Bromomethyl)naphthalene3163-27-735 % similar 1,2-Di(alpha-naphthyl)ethane15374-45-534 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4'-Octyl-4-cyanobiphenyl52709-84-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook