chempirical

1-(Dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-2-propanol hydrochloride

C20H28ClNO3CAS 135261-74-4365.90 g/mol

Open in Covalent MOL file
NOOHOHCl
AlcoholEtherTertiary amine

Properties

Molecular formula
C20H28ClNO3
Molar mass
365.90 g/mol
Exact mass
365.1758 Da
logP
3.20Crippen estimate
Polar surface area
41.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
9

Identifiers

CAS number
135261-74-4
SMILES
CN(C)CC(COC1=CC=CC=C1CCC2=CC(=CC=C2)OC)O.Cl
InChIKey
YWZCEYHTWKUNMW-UHFFFAOYSA-N
InChI
InChI=1S/C20H27NO3.ClH/c1-21(2)14-18(22)15-24-20-10-5-4-8-17(20)12-11-16-7-6-9-19(13-16)23-3;/h4-10,13,18,22H,11-12,14-15H2,1-3H3;1H

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Names and synonyms

1 names
  • 1-(Dimethylamino)-3-(2-(2-(3-methoxyphenyl)ethyl)phenoxy)-2-propanol hydrochloride

Work with 1-(Dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-2-propanol hydrochloride

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

Sarpogrelate hydrochloride135159-51-263 % similar 2-[2-(3-Methoxyphenyl)ethyl]phenol167145-13-349 % similar Naftopidil dihydrochloride57149-08-341 % similar Bevantolol hydrochloride42864-78-841 % similar 3-Methoxybenzeneethanol5020-41-740 % similar Tramadol hydrochloride22204-88-239 % similar Ranolazine hydrochloride95635-56-639 % similar Alprenolol hydrochloride13707-88-538 % similar

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

Elsewhere

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