chempirical

R-(-)-Bpap

C16H23NOCAS 260550-89-8245.37 g/mol

Open in Covalent MOL file
NHO
Secondary amine

Properties

Molecular formula
C16H23NO
Molar mass
245.37 g/mol
Exact mass
245.1780 Da
logP
4.14Crippen estimate
Polar surface area
25.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
7
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
260550-89-8
SMILES
CCCN[C@H](CCC)Cc1cc2ccccc2o1
InChIKey
LJHIBIVAYHQPBT-CQSZACIVSA-N
InChI
InChI=1S/C16H23NO/c1-3-7-14(17-10-4-2)12-15-11-13-8-5-6-9-16(13)18-15/h5-6,8-9,11,14,17H,3-4,7,10,12H2,1-2H3/t14-/m1/s1

Weigh it out

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

Names and synonyms

3 names
  • 2-Benzofuranethanamine, N,α-dipropyl-, (αR)-
  • (αR)-N,α-Dipropyl-2-benzofuranethanamine
  • (R)-1-(Benzofuran-2-yl)-N-propylpentan-2-amine

Work with R-(-)-Bpap

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

2-Butylbenzofuran4265-27-451 % similar 2-Ethylbenzofuran3131-63-349 % similar 2-Benzofuranmethanol55038-01-242 % similar 2-Benzylpiperidine32838-55-433 % similar Coniine3238-60-633 % similar 2-Acetylbenzofuran1646-26-031 % similar Pramipexole104632-26-030 % similar Dexpramipexole104632-28-230 % similar

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

Same formula

(±)-Tolperisone728-88-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook