chempirical

(+)-Bis[(R)-1-phenylethyl]amine hydrochloride

C16H20ClNCAS 82398-30-9261.79 g/mol

Open in Covalent MOL file
NHHCl
Secondary amine

Properties

Molecular formula
C16H20ClN
Molar mass
261.79 g/mol
Exact mass
261.1284 Da
logP
4.52Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4
Stereocentres
R, 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
82398-30-9
SMILES
C[C@H](C1=CC=CC=C1)N[C@H](C)C2=CC=CC=C2.Cl
InChIKey
ZBQCLJZOKDRAOW-DTPOWOMPSA-N
InChI
InChI=1S/C16H19N.ClH/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16;/h3-14,17H,1-2H3;1H/t13-,14-;/m1./s1

Weigh it out

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Names and synonyms

1 names
  • (R,R)-(+)-Bis(alpha-methylbenzyl)amine hydrochloride

Work with (+)-Bis[(R)-1-phenylethyl]amine hydrochloride

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

(αS)-N,α-Dimethylbenzenemethanamine19131-99-858 % similar (R)-(+)-N-Methyl-1-phenylethylamine5933-40-458 % similar (-)-N-Benzyl-1-phenylethylamine17480-69-250 % similar (+)-Benzylphenethylamine38235-77-750 % similar β-Methylbenzeneethanamine hydrochloride20388-87-845 % similar 1,1-Diphenylmethylamine hydrochloride5267-34-544 % similar Dl-Ephedrine hydrochloride134-71-444 % similar (+)-Ephedrine hydrochloride24221-86-144 % similar

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

Elsewhere

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