chempirical

3,3′-Dimethyl[1,1′-binaphthalene]-4,4′-diamine

C22H20N2CAS 13138-48-2312.42 g/mol

Open in Covalent MOL file
H2NNH2
Primary amine

Properties

Molecular formula
C22H20N2
Molar mass
312.42 g/mol
Exact mass
312.1626 Da
logP
5.44Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
13138-48-2
SMILES
Cc1cc(-c2cc(C)c(N)c3ccccc23)c2ccccc2c1N
InChIKey
FTEGMIZQLGXBNA-UHFFFAOYSA-N
InChI
InChI=1S/C22H20N2/c1-13-11-19(15-7-3-5-9-17(15)21(13)23)20-12-14(2)22(24)18-10-6-4-8-16(18)20/h3-12H,23-24H2,1-2H3

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Names and synonyms

4 names
  • [1,1′-Binaphthalene]-4,4′-diamine, 3,3′-dimethyl-
  • Naphthidine, 3,3′-dimethyl-
  • 3,3′-Dimethylnaphthidine
  • Dimethylnaphthidine

Work with 3,3′-Dimethyl[1,1′-binaphthalene]-4,4′-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-Methyl-1-naphthalenamine2246-44-853 % similar 3,3',5,5'-Tetramethylbenzidine54827-17-744 % similar 2,6-Xylidine87-62-744 % similar 2,4,6-Trimethyl-1,3-phenylenediamine3102-70-343 % similar 2,4,6-Trimethylaniline88-05-143 % similar 1,4-Dimethylnaphthalene571-58-442 % similar 2-Chloro-6-methylaniline87-63-842 % similar 4-Amino-3,5-dimethylphenol3096-70-641 % similar

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

Elsewhere

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