chempirical

(+)-cis-2-Benzylaminocyclohexanemethanol

C14H21NOCAS 71581-92-5219.33 g/mol

Open in Covalent MOL file
HONH
AlcoholSecondary amine

Properties

Molecular formula
C14H21NO
Molar mass
219.33 g/mol
Exact mass
219.1623 Da
logP
2.33Crippen estimate
Polar surface area
32.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4
Stereocentres
S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
71581-92-5
SMILES
C1CC[C@@H]([C@@H](C1)CO)NCC2=CC=CC=C2
InChIKey
BRQFIORUNWWNBM-KBPBESRZSA-N
InChI
InChI=1S/C14H21NO/c16-11-13-8-4-5-9-14(13)15-10-12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2/t13-,14-/m0/s1

Weigh it out

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

Work with (+)-cis-2-Benzylaminocyclohexanemethanol

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.

(1S,2R)-2-[(Phenylmethyl)amino]cyclohexanemethanol71581-93-6Enantiomer

Similar compounds

trans-2-Benzylamino-1-cyclohexanol40571-86-663 % similar Isopropylbenzylamine102-97-642 % similar [(2S)-1-Benzylpyrrolidin-2-yl]methanol53912-80-440 % similar 4-Benzylaminocyclohexanone142009-99-239 % similar (1S,2R)-N-Benzyl-2-amino-1,2-diphenylethanol153322-12-439 % similar 1-(Phenylmethyl)-4-piperidinemethanol67686-01-539 % similar cis-1,2-Cyclohexanedimethanol15753-50-139 % similar Rel-(1R,2R)-1,2-Cyclohexanedimethanol25712-33-839 % similar

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

Same formula

α-[(Cyclohexylamino)methyl]benzenemethanol6589-48-6

Elsewhere

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