2-(3-(Di(propan-2-yl)amino)-1-phenylpropyl)-4-(hydroxymethyl)phenol

C₂₂H₃₁NO₂CAS 200801-70-3341.50 g/mol

Open in Covalent MOL file

Alcohol Phenol Tertiary amine

Properties

Molecular formula: C₂₂H₃₁NO₂
Molar mass: 341.50 g/mol
Exact mass: 341.2355 Da
logP: 4.53Crippen estimate
Polar surface area: 43.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 8

Identifiers

CAS number

200801-70-3

SMILES

CC(C)N(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)CO)O)C(C)C

InChIKey

DUXZAXCGJSBGDW-UHFFFAOYSA-N

InChI

InChI=1S/C22H31NO2/c1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25/h5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3

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Names and synonyms

1 names

Rac 5-hydroxymethyl tolterodine, 90% by hplc

Work with 2-(3-(Di(propan-2-yl)amino)-1-phenylpropyl)-4-(hydroxymethyl)phenol

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

2-[3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-methylphenol124936-74-971 % similar Tolterodine124937-51-571 % similar Tolterodine tartrate124937-52-657 % similar 2-Methoxy-5-methyl-n,n-bis(1-methylethyl)-gamma-phenylbenzenepropanamine fumarate124935-89-341 % similar 3,4-Dihydroxybenzyl alcohol3897-89-038 % similar Vanillyl alcohol498-00-035 % similar 3-Bromo-4-hydroxybenzenemethanol29922-56-335 % similar α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol24085-03-832 % similar

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

Same formula

5-Hydroxymethyltolterodine207679-81-0

Elsewhere

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