(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

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

Same formula

Azacyclonol115-46-8 Mbba26227-73-6

Elsewhere

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