4,4′-[1,3-Phenylenebis(oxy)]bis[benzenamine]

C₁₈H₁₆N₂O₂CAS 2479-46-1292.34 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₁₈H₁₆N₂O₂
Molar mass: 292.34 g/mol
Exact mass: 292.1212 Da
Melting point: 114–116 °C
logP: 4.44Crippen estimate
Polar surface area: 70.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation98.1% of notifiers
H319 Causes serious eye irritation98.1% of notifiers
H335 May cause respiratory irritation98.1% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2479-46-1

SMILES

Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1

InChIKey

WUPRYUDHUFLKFL-UHFFFAOYSA-N

InChI

InChI=1S/C18H16N2O2/c19-13-4-8-15(9-5-13)21-17-2-1-3-18(12-17)22-16-10-6-14(20)7-11-16/h1-12H,19-20H2

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Names and synonyms

15 names · show all

Benzenamine, 4,4'-[1,3-phenylenebis(oxy)]bis-
1,3-Bis(4-aminophenoxy)benzene
Benzenamine, 4,4′-[1,3-phenylenebis(oxy)]bis-
Aniline, 4,4′-(m-phenylenedioxy)di-
1,3-Phenylene bis(p-aminophenyl) ether
m-Bis(p-aminophenoxy)benzene
4,4′-(m-Phenylenedioxy)dianiline
TPE-R
RODA
4,4′-[1,3-Phenylenebis(oxy)]dianiline
1,3-Bis(p-aminophenoxy)benzene
4,4′-(1,3-Phenylenedioxy)dianiline
1,3-Bis(4′-aminophenoxy)benzene
[4-[3-(4-Aminophenoxy)phenoxy]phenyl]amine
APB 134

Work with 4,4′-[1,3-Phenylenebis(oxy)]bis[benzenamine]

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

3,4′-Diaminodiphenyl ether2657-87-683 % similar 1,3,5-Tris(4-aminophenoxy)benzene (135tapob)102852-92-677 % similar (4-Aminophenoxy)benzene139-59-374 % similar 4,4′-Diaminodiphenyl ether101-80-471 % similar 3,3′-Oxydianiline15268-07-267 % similar 3-Phenoxybenzenamine3586-12-765 % similar 4,4'-Bis(4-aminophenoxy)biphenyl13080-85-863 % similar 4-(4-Chlorophenoxy)benzenamine101-79-162 % similar

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

Same formula

3,3′-[1,3-Phenylenebis(oxy)]bis[benzenamine]10526-07-5 4,4′-[1,4-Phenylenebis(oxy)]bis[benzenamine]3491-12-1 (-)-Blebbistatin856925-71-8

Elsewhere

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