(S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine

C₁₈H₂₁NOCAS 110529-22-1267.37 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₁₈H₂₁NO
Molar mass: 267.37 g/mol
Exact mass: 267.1623 Da
logP: 3.02Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 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

110529-22-1

SMILES

CN1CCC[C@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChIKey

XIJAGFLYYNXCAB-KRWDZBQOSA-N

InChI

InChI=1S/C18H21NO/c1-19-14-8-13-17(19)18(20,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17,20H,8,13-14H2,1H3/t17-/m0/s1

Weigh it out

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

Work with (S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-Alpha,alpha-diphenylmethylprolinol144119-12-0Enantiomer

Similar compounds

α-Cyclopropyl-α-phenylbenzenemethanol5785-66-049 % similar α,α-Diphenyl-L-prolinol112068-01-644 % similar (R)-α,α-Diphenylprolinol22348-32-944 % similar ((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanol)93379-48-743 % similar (S,S)-TADDOL93379-49-843 % similar Terfenadine50679-08-842 % similar (2S)-1,1,2-Triphenyl-1,2-ethanediol108998-83-042 % similar (R)-(+)-1,1,2-Triphenyl-1,2-ethanediol95061-46-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Azacyclonol115-46-8 Mbba26227-73-6 4-(Diphenylmethoxy)piperidine58258-01-8

Elsewhere

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