α1-[[(1,1-Dimethylethyl)amino]methyl]-4-(phenylmethoxy)-1,3-benzenedimethanol

C₂₀H₂₇NO₃CAS 56796-66-8329.44 g/mol

Open in Covalent MOL file

Alcohol Ether Secondary amine

Properties

Molecular formula: C₂₀H₂₇NO₃
Molar mass: 329.44 g/mol
Exact mass: 329.1991 Da
logP: 3.18Crippen estimate
Polar surface area: 61.7 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 7

Identifiers

CAS number

56796-66-8

SMILES

CC(C)(C)NCC(O)c1ccc(OCc2ccccc2)c(CO)c1

InChIKey

ICDQPCBDGAHBGG-UHFFFAOYSA-N

InChI

InChI=1S/C20H27NO3/c1-20(2,3)21-12-18(23)16-9-10-19(17(11-16)13-22)24-14-15-7-5-4-6-8-15/h4-11,18,21-23H,12-14H2,1-3H3

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Names and synonyms

3 names

1,3-Benzenedimethanol, α1-[[(1,1-dimethylethyl)amino]methyl]-4-(phenylmethoxy)-
1-(4-(Benzyloxy)-3-(hydroxymethyl)phenyl)-2-(tert-butylamino)ethanol
2-(tert-Butylamino)-1-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethanol

Work with α1-[[(1,1-Dimethylethyl)amino]methyl]-4-(phenylmethoxy)-1,3-benzenedimethanol

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

Salbutamol18559-94-960 % similar (-)-Salbutamol34391-04-360 % similar Levalbuterol hydrochloride50293-90-856 % similar Salbutamol sulfate51022-70-952 % similar Levalbuterol tartrate661464-94-449 % similar (±)-Tulobuterol41570-61-042 % similar Salmeterol89365-50-442 % similar Terbutaline23031-25-642 % similar

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

Same formula

Trilostane13647-35-3 α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol24085-03-8 Tralkoxydim87820-88-0

Elsewhere

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