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

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

CAS No:
93413-77-5
Formula:
C15H23NO2
Chemical Name:
1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol
Synonyms:
Cyclohexanol,1-[2-amino-1-(4-methoxyphenyl)ethyl]-;Cyclohexanol,1-[2-amino-1-(4-methoxyphenyl)ethyl]-,(±)-;1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol;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;149289-31-6

Description

Pale Yellow Oil

N,N-didesmethylvenlafaxine is a monomethoxybenzene that is the N,N-didesmethyl derivative of venlafaxine. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a monomethoxybenzene, an amino alcohol, a member of cyclohexanols and a primary amino compound.

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

Molecular Weight：

249.35

Exact Mass：

249.35

EC Number：

618-946-3

ATC Code：

N06AX16

Characteristics

PSA：

55.48000

XLogP3：

3.13300

Appearance：

pale yellow oil

Density：

1.107±0.06 g/cm3(Predicted)

Melting Point：

102-105 °C

Boiling Point：

394.6ºC at 760mmHg

Flash Point：

192.5ºC

Storage Conditions：

Refrigerator

Drug Information

Drug Transformations：

N,N-Didesvenlafaxine is a known transformation product of N-Desvenlafaxine and Venlafaxine.

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

Uses

An intermediate in the synthesis of N,O-Didesmethylvenlafaxine, a metabolite of Venlafaxine

Use Classification：

Pharmaceuticals -> Nervous System -> Psychoanaleptics -> Antidepressants -> Transformation products

Computed Properties

Molecular Weight:249.35
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:249.172878976
Monoisotopic Mass:249.172878976
Topological Polar Surface Area:55.5
Heavy Atom Count:18
Complexity:243
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Description
Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

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

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