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

C₁₅H₂₄ClNO₂CAS 130198-05-9285.81 g/mol

Open in Covalent MOL file

Alcohol Ether Primary 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed96.6% of notifiers
H319 Causes serious eye irritation93.2% of notifiers
H332 Harmful if inhaled89.8% of notifiers
H362 May cause harm to breast-fed children91.5% of notifiers
H411 Toxic to aquatic life with long lasting effects89.8% of notifiers

Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P263, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P351+P338, P317, P318, P330, P337+P317, P391, P501

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

Weigh it out

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

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol93413-77-5Free base

Similar compounds

Venlafaxine hydrochloride99300-78-470 % similar Venlafaxine93413-69-563 % similar 1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol131801-69-954 % similar (1-Hydroxycyclohexyl)(4-methoxyphenyl)acetonitrile93413-76-454 % similar Desvenlafaxine93413-62-841 % similar (R)-4-Amino-3-(4-methoxyphenyl)butanoic acid740774-41-840 % similar 4-Anisidine hydrochloride20265-97-837 % similar (1R,2R)-1,2-Bis(4-methoxyphenyl)ethylenediamine58520-03-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Alprenolol hydrochloride13707-88-5

Elsewhere

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