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

C₂₀H₂₇NO₃CAS 24085-03-8329.44 g/mol

Open in Covalent MOL file

Alcohol Phenol Tertiary amine

Properties

Molecular formula: C₂₀H₂₇NO₃
Molar mass: 329.44 g/mol
Exact mass: 329.1991 Da
logP: 3.22Crippen estimate
Polar surface area: 63.9 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 6

Identifiers

CAS number

24085-03-8

SMILES

CC(C)(C)N(Cc1ccccc1)CC(O)c1ccc(O)c(CO)c1

InChIKey

NZBXAYHLQSMNQS-UHFFFAOYSA-N

InChI

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

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Names and synonyms

3 names

1,3-Benzenedimethanol, α1-[[(1,1-dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-
m-Xylene-α,α′-diol, α1-[(benzyl-tert-butylamino)methyl]-4-hydroxy-
α1-Benzyl-tert-butylaminomethyl-4-hydroxy-m-xylene-α1,α3-diol

Work with α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-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

2-[(1,1-Dimethylethyl)(phenylmethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone64092-10-058 % similar Salbutamol18559-94-956 % similar (-)-Salbutamol34391-04-356 % similar Levalbuterol hydrochloride50293-90-853 % similar Salbutamol sulfate51022-70-948 % similar Salmeterol89365-50-448 % similar Levalbuterol tartrate661464-94-446 % similar Vilanterol503068-34-638 % similar

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

Same formula

Trilostane13647-35-3 α1-[[(1,1-Dimethylethyl)amino]methyl]-4-(phenylmethoxy)-1,3-benzenedimethanol56796-66-8 Tralkoxydim87820-88-0

Elsewhere

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