chempirical

Bromantan

C16H20BrNCAS 87913-26-6306.25 g/mol

Open in Covalent MOL file
BrNH
Aryl halideSecondary amine

Properties

Molecular formula
C16H20BrN
Molar mass
306.25 g/mol
Exact mass
305.0779 Da
logP
4.69Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

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
87913-26-6
SMILES
Brc1ccc(NC2C3CC4CC(C3)CC2C4)cc1
InChIKey
LWJALJDRFBXHKX-UHFFFAOYSA-N
InChI
InChI=1S/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2

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Names and synonyms

3 names
  • Tricyclo[3.3.1.13,7]decan-2-amine, N-(4-bromophenyl)-
  • N-(4-Bromophenyl)tricyclo[3.3.1.13,7]decan-2-amine
  • Bromantane

Work with Bromantan

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

Bis(4-bromophenyl)amine16292-17-441 % similar (4-Bromophenyl)hydrazine589-21-939 % similar 4-Bromo-N-methylaniline6911-87-138 % similar 4-Bromodiphenylamine54446-36-536 % similar p-Bromophenylhydrazine hydrochloride41931-18-435 % similar 4-Bromophenylhydrazine hydrochloride622-88-835 % similar 1,4-Dibromobenzene106-37-635 % similar 2-(4-Bromophenyl)pyrrolidine383127-22-834 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook