trans-2-Benzylamino-1-cyclohexanol

C₁₃H₁₉NOCAS 40571-86-6205.30 g/mol

Open in Covalent MOL file

Alcohol Secondary amine

Properties

Molecular formula: C₁₃H₁₉NO
Molar mass: 205.30 g/mol
Exact mass: 205.1467 Da
logP: 2.08Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: R, Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

40571-86-6

SMILES

C1CC[C@H]([C@@H](C1)NCC2=CC=CC=C2)O

InChIKey

NJNCYFUGUYIMEQ-CHWSQXEVSA-N

InChI

InChI=1S/C13H19NO/c15-13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11/h1-3,6-7,12-15H,4-5,8-10H2/t12-,13-/m1/s1

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Names and synonyms

1 names

(1R,2R)-2-(Benzylamino)cyclohexanol

Work with trans-2-Benzylamino-1-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

(+)-cis-2-Benzylaminocyclohexanemethanol71581-92-563 % similar (1S,2R)-2-[(Phenylmethyl)amino]cyclohexanemethanol71581-93-663 % similar (+)-trans-2-Phenylcyclohexanol34281-92-047 % similar (1R,2S)-(-)-trans-2-Phenyl-1-cyclohexanol98919-68-747 % similar (1S,2R)-N-Benzyl-2-amino-1,2-diphenylethanol153322-12-446 % similar Isopropylbenzylamine102-97-645 % similar 4-Benzylaminocyclohexanone142009-99-242 % similar (-)-N-Benzyl-1-phenylethylamine17480-69-242 % 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 (1R,2R)-trans-2-Benzyloxy-cyclohexylamine216394-06-8 (1S,2S)-trans-2-Benzyloxy-cyclohexylamine216394-07-9 1-(Phenylmethyl)-4-piperidinemethanol67686-01-5

Elsewhere

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