((3R,4S)-4-Phenylpyrrolidin-3-yl)methanol

C₁₁H₁₅NOCAS 848307-24-4177.25 g/mol

Open in Covalent MOL file

Alcohol Secondary amine

Properties

Molecular formula: C₁₁H₁₅NO
Molar mass: 177.25 g/mol
Exact mass: 177.1154 Da
logP: 0.98Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2
Stereocentres: R, Sin 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

848307-24-4

SMILES

C1[C@@H]([C@H](CN1)C2=CC=CC=C2)CO

InChIKey

MMDOXIYRYUVGPQ-GHMZBOCLSA-N

InChI

InChI=1S/C11H15NO/c13-8-10-6-12-7-11(10)9-4-2-1-3-5-9/h1-5,10-13H,6-8H2/t10-,11-/m1/s1

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Work with ((3R,4S)-4-Phenylpyrrolidin-3-yl)methanol

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

((3R,4S)-4-(3-Fluorophenyl)pyrrolidin-3-yl)methanol915390-10-266 % similar (3R,4S)-4-Phenylpyrrolidine-3-carboxylic acid652971-46-547 % similar 2-Phenyl-1,3-propanediol1570-95-247 % similar (1R)-(-)-1-Phenylethane-1,2-diol16355-00-344 % similar (S)-(+)-1-Phenyl-1,2-ethanediol25779-13-944 % similar 1-Phenyl-1,2-ethanediol7138-28-544 % similar 1-Phenyl-1,2-ethanediol93-56-144 % similar 2-Phenyl-1-propanol1123-85-942 % similar

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

Same formula

(3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-4 (R)-(+)-1-Benzyl-3-pyrrolidinol101930-07-8 2-(3-Methoxyphenyl)pyrrolidine103861-77-4 4-N-Butylbenzamide107377-07-1 4-(Diethylamino)benzaldehyde120-21-8 N,N-Diethylbenzamide1696-17-9 1-Propanol,2-methyl-2-[(phenylmethylene)amino]-22563-90-2 4-Phenoxypiperidine3202-33-3

Elsewhere

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