2,3,4,5-Tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine-7,8-diamine

C₁₃H₁₄F₃N₃OCAS 230615-69-7285.27 g/mol

Open in Covalent MOL file

Alkyl halide Amide Primary amine

Properties

Molecular formula: C₁₃H₁₄F₃N₃O
Molar mass: 285.27 g/mol
Exact mass: 285.1089 Da
logP: 1.83Crippen estimate
Polar surface area: 72.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

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

230615-69-7

SMILES

C1C2CN(CC1C3=CC(=C(C=C23)N)N)C(=O)C(F)(F)F

InChIKey

LWZYCQINJXEWRC-UHFFFAOYSA-N

InChI

InChI=1S/C13H14F3N3O/c14-13(15,16)12(20)19-4-6-1-7(5-19)9-3-11(18)10(17)2-8(6)9/h2-3,6-7H,1,4-5,17-18H2

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Names and synonyms

1 names

1-(7,8-Diamino-1,2,4,5-tetrahydro-3H-1,5-methano-3-benzazepin-3-yl)-2,2,2-trifluoroethan-1-one

Work with 2,3,4,5-Tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine-7,8-diamine

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

2,3,4,5-Tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine230615-51-767 % similar 2,2,2-Trifluoro-1-(6,7,9,10-tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepin-8-yl)ethanone230615-70-067 % similar 2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine230615-59-562 % similar 2,2,2-Trifluoro-1-(1-piperidinyl)ethanone340-07-838 % similar N,N-Diethyl-2,2,2-trifluoroacetamide360-92-938 % similar 2,2,2-Trifluoro-N,N-dimethylacetamide1547-87-130 % similar N-Methylbis(trifluoroacetyl)imide685-27-830 % similar

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

Elsewhere

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