chempirical

1-Benzhydrylazetane-3-carbonitrile

C17H16N2CAS 36476-86-5248.33 g/mol

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NN
NitrileTertiary amine

Properties

Molecular formula
C17H16N2
Molar mass
248.33 g/mol
Exact mass
248.1313 Da
logP
3.23Crippen estimate
Polar surface area
27.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

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
36476-86-5
SMILES
C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)C#N
InChIKey
IXMOEAHDRKNAAG-UHFFFAOYSA-N
InChI
InChI=1S/C17H16N2/c18-11-14-12-19(13-14)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17H,12-13H2

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Names and synonyms

1 names
  • 1-(Diphenylmethyl)azetidine-3-carbonitrile

Work with 1-Benzhydrylazetane-3-carbonitrile

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-Benzhydrylazetidin-3-ol18621-17-555 % similar 1-Benzhydrylazetan-3-ol40432-51-755 % similar 1-(Diphenylmethyl)-3-azetidinamine40432-52-855 % similar 1-(Diphenylmethyl)-3-azetidinemethanamine36476-88-752 % similar 1-Benzhydrylazetidine-3-carboxylic acid36476-87-650 % similar 1-Benzhydryl-N-methyl-3-azetidinamine69159-49-550 % similar 1-Benzhydrylazetidin-3-ol Hydrochloride90604-02-750 % similar Diphenylmethylpiperazine841-77-045 % similar

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

Elsewhere

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