chempirical

Dizocilpine

C16H15NCAS 77086-21-6221.30 g/mol

Open in Covalent MOL file
NH
Secondary amine

Properties

Molecular formula
C16H15N
Molar mass
221.30 g/mol
Exact mass
221.1204 Da
Melting point
68.75 °C
logP
3.15Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
77086-21-6
SMILES
C[C@]12N[C@H](Cc3ccccc31)c1ccccc12
InChIKey
LBOJYSIDWZQNJS-CVEARBPZSA-N
InChI
InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1

Weigh it out

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

Names and synonyms

3 names
  • 5H-Dibenzo[a,d]cyclohepten-5,10-imine, 10,11-dihydro-5-methyl-, (5S,10R)-
  • 5H-Dibenzo[a,d]cyclohepten-5,10-imine, 10,11-dihydro-5-methyl-, (5S)-
  • (5S,10R)-10,11-Dihydro-5-methyl-5H-dibenzo[a,d]cyclohepten-5,10-imine

Work with Dizocilpine

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

(1S,2R)-(-)-1-Amino-2-indanol126456-43-731 % similar (+)-cis-1-Amino-2-indanol136030-00-731 % similar (1S,2S)-1-Amino-2-indanol163061-74-331 % similar 1-Methyl-1,2,3,4-tetrahydroisoquinoline4965-09-731 % similar cis-1-Amino-2-indanol7480-35-531 % similar 1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene6683-46-131 % similar

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

Same formula

1-Ethyl-2-phenyl-1H-indole13228-39-2 3Cb58743-76-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook