1,3,5-Tris(4-aminophenoxy)benzene (135tapob)

C₂₄H₂₁N₃O₃CAS 102852-92-6399.45 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₂₄H₂₁N₃O₃
Molar mass: 399.45 g/mol
Exact mass: 399.1583 Da
logP: 5.81Crippen estimate
Polar surface area: 105.8 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 6

Identifiers

CAS number

102852-92-6

SMILES

C1=CC(=CC=C1N)OC2=CC(=CC(=C2)OC3=CC=C(C=C3)N)OC4=CC=C(C=C4)N

InChIKey

PAPDRIKTCIYHFI-UHFFFAOYSA-N

InChI

InChI=1S/C24H21N3O3/c25-16-1-7-19(8-2-16)28-22-13-23(29-20-9-3-17(26)4-10-20)15-24(14-22)30-21-11-5-18(27)6-12-21/h1-15H,25-27H2

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Names and synonyms

1 names

1,3,5-Tris(4-aminophenoxy)benzene

Work with 1,3,5-Tris(4-aminophenoxy)benzene (135tapob)

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

4,4'-Oxydianiline101-80-483 % similar 4,4′-[1,4-Phenylenebis(oxy)]bis[benzenamine]3491-12-183 % similar 1,3-Bis(4-aminophenoxy)benzene2479-46-177 % similar 4,4'-Bis(4-aminophenoxy)biphenyl13080-85-871 % similar (4-Aminophenoxy)benzene139-59-368 % similar 3,4′-Diaminodiphenyl ether2657-87-664 % similar 4-(4-Chlorophenoxy)benzenamine101-79-163 % similar 4-(4-Methylphenoxy)benzenamine41295-20-963 % similar

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

Elsewhere

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