2-[3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-methylphenol

C22H31NOCAS 124936-74-9325.50 g/mol

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OHN
PhenolTertiary amine

Properties

Molecular formula
C22H31NO
Molar mass
325.50 g/mol
Exact mass
325.2406 Da
logP
5.34Crippen estimate
Polar surface area
23.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
7

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
124936-74-9
SMILES
CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2
InChIKey
OOGJQPCLVADCPB-UHFFFAOYSA-N
InChI
InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3

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Names and synonyms

1 names
  • 2-(3-(Di(propan-2-yl)amino)-1-phenylpropyl)-4-methylphenol

Work with 2-[3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-methylphenol

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.

Tolterodine124937-51-5Defined stereoisomer Tolterodine tartrate124937-52-6Salt, defined stereoisomer

Similar compounds

2-(3-(Di(propan-2-yl)amino)-1-phenylpropyl)-4-(hydroxymethyl)phenol200801-70-371 % similar 5-Hydroxymethyltolterodine207679-81-071 % similar 2-Methoxy-5-methyl-n,n-bis(1-methylethyl)-gamma-phenylbenzenepropanamine fumarate124935-89-357 % similar 2-Methoxy-5-methyl-γ-phenylbenzenepropanol124937-73-144 % similar Fesoterodine fumarate286930-03-839 % similar 3,4-Dihydro-6-methyl-4-phenyl-2H-1-benzopyran-2-one40546-94-938 % similar 2-Methoxy-5-methyl-β-phenylbenzenepropanoic acid109089-77-237 % similar Thymol89-83-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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