chempirical

1-(3-Amino-10,11-dihydro-5H-dibenz[B,F]azepin-5-yl)ethanone

C16H16N2OCAS 84803-67-8252.32 g/mol

Open in Covalent MOL file
ONH2N
AmidePrimary amine

Properties

Molecular formula
C16H16N2O
Molar mass
252.32 g/mol
Exact mass
252.1263 Da
Melting point
149–150 °C
logP
3.05Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
84803-67-8
SMILES
CC(=O)N1c2ccccc2CCc2ccc(N)cc21
InChIKey
SEUMPHLDWPKWRO-UHFFFAOYSA-N
InChI
InChI=1S/C16H16N2O/c1-11(19)18-15-5-3-2-4-12(15)6-7-13-8-9-14(17)10-16(13)18/h2-5,8-10H,6-7,17H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Ethanone, 1-(3-amino-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-
  • 5H-Dibenz[b,f]azepin-3-amine, 5-acetyl-10,11-dihydro-
  • 5H-Dibenz[b,f]azepine, 5-acetyl-3-amino-10,11-dihydro-
  • 5-Acetyl-3-aminoiminodibenzyl
  • 5-Acetyl-10,11-dihydro-5H-dibenz[b,f]azepin-3-amine

Work with 1-(3-Amino-10,11-dihydro-5H-dibenz[B,F]azepin-5-yl)ethanone

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

1-(3-Chloro-10,11-dihydro-5H-dibenz[B,F]azepin-5-yl)ethanone25961-11-967 % similar 1-Acetylindoline16078-30-149 % similar 10,11-Dihydro-5H-dibenz[B,F]azepine-5-carbonyl chloride33948-19-544 % similar 1-Acetyl-6-amino-3,3-dimethylindoline453562-71-544 % similar N,N-Diphenylacetamide519-87-939 % similar 10,11-Dihydrocarbamazepine3564-73-639 % similar N-(4-Aminophenyl)-N-methylacetamide119-63-138 % similar 1-(2,6-Dichlorophenyl)indolin-2-one15362-40-037 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook