chempirical

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

C15H23NO2CAS 93413-77-5249.35 g/mol

Open in Covalent MOL file
ONH2OH
AlcoholEtherPrimary amine

Properties

Molecular formula
C15H23NO2
Molar mass
249.35 g/mol
Exact mass
249.1729 Da
Melting point
102–105 °C
logP
2.43Crippen estimate
Polar surface area
55.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Identifiers

CAS number
93413-77-5
SMILES
COc1ccc(C(CN)C2(O)CCCCC2)cc1
InChIKey
SUQHIQRIIBKNOR-UHFFFAOYSA-N
InChI
InChI=1S/C15H23NO2/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

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Names and synonyms

8 names
  • Cyclohexanol, 1-[2-amino-1-(4-methoxyphenyl)ethyl]-
  • Cyclohexanol, 1-[2-amino-1-(4-methoxyphenyl)ethyl]-, (±)-
  • 1-[2-Amino-1-(p-methoxyphenyl)ethyl]cyclohexanol
  • N,N-Didesmethylvenlafaxine
  • Dinorvenlafaxine
  • 2-(4-Methoxyphenyl)-2-(1-hydroxycyclohexyl)-ethylamine
  • 1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
  • 2-(1-Hydroxy-1-cyclohexyl)-2-(4-methoxyphenyl)ethylamine

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

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]cyclohexanol hydrochloride130198-05-992 % similar Venlafaxine93413-69-567 % similar Venlafaxine hydrochloride99300-78-463 % similar 1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol131801-69-958 % similar 1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol93413-76-458 % similar Desvenlafaxine93413-62-844 % similar 4-Methoxy-α-(4-methoxyphenyl)benzenemethanol728-87-040 % similar (S)-1-(4-Methoxyphenyl)ethanol1572-97-038 % similar

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

Same formula

Alprenolol13655-52-2 2-Ethylhexyl P-aminobenzoate26218-04-2

Elsewhere

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