chempirical

1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride

C15H24ClNO2CAS 130198-05-9285.81 g/mol

Open in Covalent MOL file
ONH2OHHCl
AlcoholEtherPrimary amine

Properties

Molecular formula
C15H24ClNO2
Molar mass
285.81 g/mol
Exact mass
285.1496 Da
Melting point
168–172 °C
logP
2.85Crippen estimate
Polar surface area
55.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Identifiers

CAS number
130198-05-9
SMILES
COc1ccc(C(CN)C2(O)CCCCC2)cc1.Cl
InChIKey
NTKXIDDUCSFBBF-UHFFFAOYSA-N
InChI
InChI=1S/C15H23NO2.ClH/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15;/h5-8,14,17H,2-4,9-11,16H2,1H3;1H

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Names and synonyms

5 names
  • Cyclohexanol, 1-[2-amino-1-(4-methoxyphenyl)ethyl]-, hydrochloride (1:1)
  • Cyclohexanol, 1-[2-amino-1-(4-methoxyphenyl)ethyl]-, hydrochloride, (±)-
  • Cyclohexanol, 1-[2-amino-1-(4-methoxyphenyl)ethyl]-, hydrochloride
  • N,N-Didesmethylvenlafaxine hydrochloride
  • 1-[2-Amino-1-(p-methoxyphenyl)ethyl]cyclohexanol hydrochloride

Work with 1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol 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

1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol93413-77-592 % similar Venlafaxine hydrochloride99300-78-470 % similar Venlafaxine93413-69-563 % similar 1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol131801-69-954 % similar 1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol93413-76-454 % similar Desvenlafaxine93413-62-841 % similar 4-Methoxyaniline hydrochloride20265-97-837 % similar 4-Methoxy-α-(4-methoxyphenyl)benzenemethanol728-87-037 % similar

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

Same formula

Alprenolol hydrochloride13707-88-5

Elsewhere

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