(S)-1-(5-Phenyl-1H-imidazol-2-yl)ethanamine

C11H13N3CAS 864825-23-0187.25 g/mol

Open in Covalent MOL file
NNHNH2
Primary amine

Properties

Molecular formula
C11H13N3
Molar mass
187.25 g/mol
Exact mass
187.1109 Da
logP
2.10Crippen estimate
Polar surface area
54.7 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
864825-23-0
SMILES
C[C@@H](C1=NC=C(N1)C2=CC=CC=C2)N
InChIKey
XQFMQMXJXWTGON-QMMMGPOBSA-N
InChI
InChI=1S/C11H13N3/c1-8(12)11-13-7-10(14-11)9-5-3-2-4-6-9/h2-8H,12H2,1H3,(H,13,14)/t8-/m0/s1

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Names and synonyms

1 names
  • (1S)-1-(5-Phenyl-1H-imidazol-2-yl)ethan-1-amine

Work with (S)-1-(5-Phenyl-1H-imidazol-2-yl)ethanamine

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

2,4-Diphenylimidazole670-83-750 % similar (S)-α-Phenethylamine2627-86-341 % similar (R)-α-Phenethylamine3886-69-941 % similar 1-Phenethylamine618-36-041 % similar 1-Phenylethylamine98-84-041 % similar 1-Pyridin-2-yl-ethylamine42088-91-539 % similar (S)-1-Pyridin-2-yl-ethylamine45695-03-239 % similar 2-Phenyl-4-methylimidazole827-43-036 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2-Cyanophenyl)piperazine111373-03-6 4-(1-Piperazinyl)benzonitrile68104-63-2

Elsewhere

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