Xylometazoline

C₁₆H₂₄N₂CAS 526-36-3244.38 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₂₄N₂
Molar mass: 244.38 g/mol
Exact mass: 244.1939 Da
Melting point: 132 °C
logP: 3.15Crippen estimate
Polar surface area: 24.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

526-36-3

SMILES

Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1

InChIKey

HUCJFAOMUPXHDK-UHFFFAOYSA-N

InChI

InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)

Weigh it out

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

Names and synonyms

14 names · show all

1H-Imidazole, 2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-
2-Imidazoline, 2-(4-tert-butyl-2,6-dimethylbenzyl)-
2-[[4-(1,1-Dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-1H-imidazole
2-(4-tert-Butyl-2,6-dimethylbenzyl)-2-imidazoline
Otrivine
Otrivin
2-(4′-tert-Butyl-2′,6′-dimethylphenylmethyl)imidazoline
2-(4′-tert-Butyl-2′,6′-dimethylbenzyl)imidazoline
Otriven
Otrix
Ba 11391
Rhinoxilin
2-(4-tert-Butyl-2,6-dimethyl-benzyl)-4,5-dihydro-1H-imidazole
2-[(4-tert-Butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole

Work with Xylometazoline

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

Xylometazoline hydrochloride1218-35-592 % similar Oxymetazoline1491-59-462 % similar Oxymetazoline hydrochloride2315-02-858 % similar Tolazoline59-98-340 % similar Tolazoline hydrochloride59-97-238 % similar Naphazoline835-31-435 % similar 4-(1,1-Dimethylethyl)-1,2-dimethylbenzene7397-06-035 % similar Naphazoline hydrochloride550-99-233 % similar

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

Same formula

N,N-Dipropyltryptamine61-52-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook