CAS 36476-86-5|1-(diphenylmethyl)azetidine-3-carbonitrile|1-(diphenylmethyl)azetidine-3-carbonitrile|1-(Diphenylmethyl)azetidine-3-carbonitrile|1-Benzhydrylazetane-3-carbonitrile|3-Cyano-1-(diphenyl...

General Information

Structure

Molecular Formula

C₁₇H₁₆N₂

Molecular Mass

248.32234

Exact Mass

248.13134852

Charge

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

InChIKey

IXMOEAHDRKNAAG-UHFFFAOYSA-N

Canonic Smiles

N#CC1CN(C1)C(c1ccccc1)c1ccccc1

Isomeric Smiles

C1N(CC1C#N)C(c1ccccc1)c1ccccc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.9202483

LogD (pH = 7.4)

3.246377

Log P

3.25262

Molar Refractivity

76.7347

Polarizability

29.817297

Polar Surface Area

27.03

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1-(diphenylmethyl)azetidine-3-carbonitrile

IUPAC name

1-(diphenylmethyl)azetidine-3-carbonitrile

Synonyms

1-(Diphenylmethyl)azetidine-3-carbonitrile1-Benzhydrylazetane-3-carbonitrile3-Cyano-1-(diphenylmethyl)azetidine1-Benzhydrylazetidine-3-carbonitrile1-benzhydrylazetane-3-carbonitrile1-Benzhydryl-3-cyanoazetidine1-Benzhydryl-3-cyanoazetidine1-(Diphenylmethyl)-3-azetidinecarbonitrile

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Registration numbers

Properties