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

C22H31NO2CAS 200801-70-3341.50 g/mol

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NHOOH
AlcoholPhenolTertiary 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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.

5-Hydroxymethyltolterodine207679-81-0Defined stereoisomer

Similar compounds

2-[3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-methylphenol124936-74-971 % similar Tolterodine124937-51-571 % similar Tolterodine tartrate124937-52-657 % similar Fesoterodine fumarate286930-03-855 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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