2-(3-(Di(propan-2-yl)amino)-1-phenylpropyl)-4-methylphenol
Basic information
- Standard SMILES
Cc1ccc(O)c(C(CCN(C(C)C)C(C)C)c2ccccc2)c1- InChIKey
OOGJQPCLVADCPB-UHFFFAOYSA-N- Molecular formula
- C22H31NO
- Average molar mass
- 325.5 g/mol
Overview
See also: Tolterodine (annotation moved to).
Names & identifiers
- Preferred name
- 2-(3-(Di(propan-2-yl)amino)-1-phenylpropyl)-4-methylphenol
- IUPAC
- 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
Names & synonyms
2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol2-(3-(Di(propan-2-yl)amino)-1-phenylpropyl)-4-methylphenolRefChem:1061045DTXCID10209345DTXSID70861286124936-74-92-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenol2-[3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-methylphenolTolterodine Impurity 42-{3-[bis(propan-2-yl)amino]-1-phenylpropyl}-4-methylphenoltolterodinTolterodine (racemate)
Show more names
OOGJQPCLVADCPB-UHFFFAOYSA-NPNU-200583 racemate; PNU 200583 racemate; PNU200583 racemate; (+/-)-Tolterodine; Racemic tolterodineSpectrum_0016342-[3-[Bis(1-Methylethyl)Amino]-1-Phenylpropyl]-4-Methyl Phenol Monohydrobromide2,3-BIS(1-METHYLETHYL)AMINO-1-PHENYLPROPYL-4-METHYLPHENOLSpectrum2_000526Spectrum3_001003Spectrum4_001131
Database identifiers
- PubChem CID
- 5512
- ChEMBL
CHEMBL319757
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 340
Experimental & physicochemical properties
DrugsPharmaceuticals
Related reactions
9 records
Compound notes
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