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

C₂₂H₃₁NOCAS 124936-74-9325.50 g/mol

Open in Covalent MOL file

Phenol Tertiary 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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 7

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

Similar compounds

Tolterodine tartrate124937-52-677 % 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 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 2-Chloro-4-methylphenol6640-27-336 % similar

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

Same formula

Tolterodine124937-51-5

Elsewhere

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