(1S,2S)-trans-2-Benzyloxy-cyclohexylamine

C₁₃H₁₉NOCAS 216394-07-9205.30 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₁₃H₁₉NO
Molar mass: 205.30 g/mol
Exact mass: 205.1467 Da
logP: 2.47Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3
Stereocentres: S, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed90.7% of notifiers
H315 Causes skin irritation90.7% of notifiers
H319 Causes serious eye irritation90.7% of notifiers
H335 May cause respiratory irritation90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

216394-07-9

SMILES

N[C@H]1CCCC[C@@H]1OCc1ccccc1

InChIKey

NTHNRYLIXJZHRZ-STQMWFEESA-N

InChI

InChI=1S/C13H19NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,14H2/t12-,13-/m0/s1

Weigh it out

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

Names and synonyms

7 names

(1S,2S)-2-(Phenylmethoxy)cyclohexanamine
[(1S,2S)-2-(Benzyloxy)cyclohex-1-yl]amine
Cyclohexanamine, 2-(phenylmethoxy)-, (1S,2S)-
(1S,2S)-1-Amino-2-(Benzyloxy)cyclohexane
[(2S,1S)-2-(Benzyloxy)cyclohexyl]amine
[(1S,2S)-2-(Benzyloxy)cyclohexyl]amine
(1S,2S)-2-(Benzyloxy)cyclohexan-1-amine

Work with (1S,2S)-trans-2-Benzyloxy-cyclohexylamine

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.

(1R,2R)-trans-2-Benzyloxy-cyclohexylamine216394-06-8Enantiomer

Similar compounds

2-(Phenylmethoxy)-1,3-propanediol14690-00-742 % similar N,N-Dimethyl-1,1-bis(phenylmethoxy)methanamine2016-04-842 % similar (3R,4R)-3,4-Di-O-benzyl-1,5-hexadiene-3,4-diol112571-38-741 % similar (1S,2R,3S,5R)-3-(Phenylmethoxy)-2-[(phenylmethoxy)methyl]-6-oxabicyclo[3.1.0]hexane110567-22-140 % similar O-Benzylhydroxylamine622-33-339 % similar Dibenzyl ether103-50-439 % similar 3-(Benzyloxy)cyclobutan-1-one30830-27-438 % similar (R)-(+)-2-Benzyloxypropionic acid100836-85-938 % similar

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

Same formula

3-[(3R,4R)-3,4-Dimethyl-4-piperidinyl]phenol119193-19-0 (1S,2R)-1-Phenyl-2-(1-pyrrolidinyl)propan-1-ol123620-80-4 N,N-Bis(1-methylethyl)benzamide20383-28-2 trans-2-Benzylamino-1-cyclohexanol40571-86-6 1-(Phenylmethyl)-4-piperidinemethanol67686-01-5

Elsewhere

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