(1S,2R)-N-Benzyl-2-amino-1,2-diphenylethanol

C₂₁H₂₁NOCAS 153322-12-4303.41 g/mol

Open in Covalent MOL file

Alcohol Secondary amine

Properties

Molecular formula: C₂₁H₂₁NO
Molar mass: 303.41 g/mol
Exact mass: 303.1623 Da
logP: 4.25Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 6
Stereocentres: R, Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

153322-12-4

SMILES

C1=CC=C(C=C1)CN[C@H](C2=CC=CC=C2)[C@H](C3=CC=CC=C3)O

InChIKey

KKJGAZRIFJEPKA-RTWAWAEBSA-N

InChI

InChI=1S/C21H21NO/c23-21(19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)22-16-17-10-4-1-5-11-17/h1-15,20-23H,16H2/t20-,21+/m1/s1

Weigh it out

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

Work with (1S,2R)-N-Benzyl-2-amino-1,2-diphenylethanol

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-Benzyl-1-phenylethylamine17480-69-250 % similar (S,S)-(-)-Hydrobenzoin2325-10-250 % similar (+)-Benzylphenethylamine38235-77-750 % similar (R,R)-Hydrobenzoin52340-78-050 % similar Rel-(1R,2S)-1,2-Diphenyl-1,2-ethanediol579-43-150 % similar Hydrobenzoin655-48-150 % similar trans-2-Benzylamino-1-cyclohexanol40571-86-646 % similar Isopropylbenzylamine102-97-645 % similar

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

Elsewhere

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