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

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
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

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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-Benzofurancarboxylic acid ethyl ester3199-61-932 % similar 2-Bromo-1-benzofuran54008-77-432 % similar 2-Acetylbenzofuran1646-26-031 % similar

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

Same formula

3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile1611-07-0 (±)-Tolperisone728-88-1

Elsewhere

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