(S)-(+)-2-Dibenzylamino-3-phenyl-1-propanol

C₂₃H₂₅NOCAS 111060-52-7331.46 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₂₃H₂₅NO
Molar mass: 331.46 g/mol
Exact mass: 331.1936 Da
logP: 4.29Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 8
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

111060-52-7

SMILES

C1=CC=C(C=C1)C[C@@H](CO)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChIKey

ZXNVOFMPUPOZDF-QHCPKHFHSA-N

InChI

InChI=1S/C23H25NO/c25-19-23(16-20-10-4-1-5-11-20)24(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2/t23-/m0/s1

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Names and synonyms

1 names

(S)-(+)-2-(Dibenzylamino)-3-phenyl-1-propanol

Work with (S)-(+)-2-Dibenzylamino-3-phenyl-1-propanol

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

Elsewhere

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