2-[(1,1-Dimethylethyl)(phenylmethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone

C20H25NO3CAS 64092-10-0327.42 g/mol

Open in Covalent MOL file
NOOHHO
AlcoholKetonePhenolTertiary amine

Properties

Molecular formula
C20H25NO3
Molar mass
327.42 g/mol
Exact mass
327.1834 Da
logP
3.37Crippen estimate
Polar surface area
60.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
64092-10-0
SMILES
CC(C)(C)N(CC(=O)c1ccc(O)c(CO)c1)Cc1ccccc1
InChIKey
OCLIQASIQHOWRE-UHFFFAOYSA-N
InChI
InChI=1S/C20H25NO3/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/h4-11,22-23H,12-14H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Ethanone, 2-[(1,1-dimethylethyl)(phenylmethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-
  • Benzylsalbutamon
  • N-Benzylalbuterone

Work with 2-[(1,1-Dimethylethyl)(phenylmethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone

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

α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol24085-03-858 % similar 2-Bromo-1-(4-hydroxy-3-(hydroxymethyl)phenyl)ethan-1-one62932-94-950 % similar 5-((Bis(benzyl)amino)acetyl)salicylamide30566-92-846 % similar 3',4'-Dihydroxypropiophenone7451-98-135 % similar 5-Bromo-2-hydroxybenzyl alcohol2316-64-535 % similar Levalbuterol tartrate661464-94-434 % similar Salbutamol18559-94-934 % similar (-)-Salbutamol34391-04-334 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Lcz696 intemediate1426129-50-1 N-Boc-beta-phenyl-L-phenylalaninol155836-47-8 1,1-Dimethylethyl N-[(1R)-1-(hydroxymethyl)-2,2-diphenylethyl]carbamate155836-48-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook