(1S,2R)-1-Phenyl-2-(1-pyrrolidinyl)propan-1-ol

C₁₃H₁₉NOCAS 123620-80-4205.30 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₁₃H₁₉NO
Molar mass: 205.30 g/mol
Exact mass: 205.1467 Da
logP: 2.20Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3
Stereocentres: R, Sin SMILES atom order

Identifiers

CAS number

123620-80-4

SMILES

C[C@H]([C@H](C1=CC=CC=C1)O)N2CCCC2

InChIKey

FZVHJGJBJLFWEX-DGCLKSJQSA-N

InChI

InChI=1S/C13H19NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3/t11-,13-/m1/s1

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Names and synonyms

1 names

1-Phenyl-2-(pyrrolidin-1-yl)propan-1-ol, (1S,2R)-

Work with (1S,2R)-1-Phenyl-2-(1-pyrrolidinyl)propan-1-ol

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

N-Methylephedrine552-79-461 % similar (R,R)-Hydrobenzoin52340-78-048 % similar Rel-(1R,2S)-1,2-diphenyl-1,2-ethanediol579-43-148 % similar (+)-Phenylpropanolamine37577-28-946 % similar (-)-Phenylpropanolamine492-41-146 % similar Ifenprodil tartrate23210-58-444 % similar Ephedrine299-42-343 % similar (-)-Pseudoephedrine321-97-143 % similar

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

Same formula

3-[(3R,4R)-3,4-Dimethyl-4-piperidinyl]phenol119193-19-0 N,N-Bis(1-methylethyl)benzamide20383-28-2 (1R,2R)-2-(Phenylmethoxy)cyclohexanamine216394-06-8 (1S,2S)-2-(Phenylmethoxy)cyclohexanamine216394-07-9 1-(Phenylmethyl)-4-piperidinemethanol67686-01-5

Elsewhere

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