chempirical

(R)-2-[2-(4-Aminophenyl)ethylamino]-1-phenylethanol hydrochloride

C16H21ClN2OCAS 521284-22-0292.81 g/mol

Open in Covalent MOL file
HClH2NNHOH
AlcoholPrimary amineSecondary amine

Properties

Molecular formula
C16H21ClN2O
Molar mass
292.81 g/mol
Exact mass
292.1342 Da
logP
2.56Crippen estimate
Polar surface area
58.3 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
521284-22-0
SMILES
Cl.Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1
InChIKey
QILVTBCJVNFIDP-NTISSMGPSA-N
InChI
InChI=1S/C16H20N2O.ClH/c17-15-8-6-13(7-9-15)10-11-18-12-16(19)14-4-2-1-3-5-14;/h1-9,16,18-19H,10-12,17H2;1H/t16-;/m0./s1

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Names and synonyms

7 names
  • Benzenemethanol, α-[[[2-(4-aminophenyl)ethyl]amino]methyl]-, hydrochloride (1:1), (αR)-
  • Benzenemethanol, α-[[[2-(4-aminophenyl)ethyl]amino]methyl]-, monohydrochloride, (αR)-
  • (R)-2-[(2-(4-Aminophenyl)ethyl)amino]-1-phenylethanol monohydrochloride
  • (R)-2-[[2-(4-Aminophenyl)ethyl]amino]-1-phenylethanol monohydrochloride
  • (R)-2-[[2-(4-Aminophenyl)ethyl]amino]-1-phenylethanol hydrochloride
  • YM 208876
  • (R)-2-(4-Aminophenethylamino)-1-phenylethanol hydrochloride

Work with (R)-2-[2-(4-Aminophenyl)ethylamino]-1-phenylethanol 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

Similar compounds

Benzenamine, 4-(phenylmethyl)-, hydrochloride (1:1)6317-57-345 % similar Mirabegron223673-61-843 % similar Etilefrine hydrochloride943-17-939 % similar α-[(Cyclohexylamino)methyl]benzenemethanol6589-48-639 % similar (-)-Phenylethanolamine2549-14-639 % similar Phenylethanolamine7568-93-639 % similar Benzenamine hydrochloride (1:1)142-04-138 % similar 3-(Methylamino)-1-phenyl-1-propanol42142-52-938 % similar

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

Same formula

Leucine-2-naphthylamide hydrochloride893-36-7 3-[(Dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-one hydrochloride99614-70-7

Elsewhere

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