1,2-bis(2-aminophenoxy)ethane-1,2-didiazonium

C14H14N6O2+2 — CID 57145330

IUPAC1,2-bis(2-aminophenoxy)ethane-1,2-didiazonium
SMILESN#[N+]C(Oc1ccccc1N)C([N+]#N)Oc1ccccc1N
InChIInChI=1S/C14H14N6O2/c15-9-5-1-3-7-11(9)21-13(19-17)14(20-18)22-12-8-4-2-6-10(12)16/h1-8,13-14H,15-16H2/q+2
InChIKeyIJBWUCMLCGCALG-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.67
Rot. Bonds5

About 1,2-bis(2-aminophenoxy)ethane-1,2-didiazonium

1,2-bis(2-aminophenoxy)ethane-1,2-didiazonium (PubChem CID 57145330) has the molecular formula C14H14N6O2+2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 1,2-bis(2-aminophenoxy)ethane-1,2-didiazonium.

Molecular Properties

Compound Name1,2-bis(2-aminophenoxy)ethane-1,2-didiazonium
PubChem CID57145330
Molecular FormulaC14H14N6O2+2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name1,2-bis(2-aminophenoxy)ethane-1,2-didiazonium
SMILESN#[N+]C(Oc1ccccc1N)C([N+]#N)Oc1ccccc1N
InChIInChI=1S/C14H14N6O2/c15-9-5-1-3-7-11(9)21-13(19-17)14(20-18)22-12-8-4-2-6-10(12)16/h1-8,13-14H,15-16H2/q+2
InChIKeyIJBWUCMLCGCALG-UHFFFAOYSA-N
XLogP2.67
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yloxyaniline;hydrochloride
CID 24779669
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2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600
2-(2-aminophenoxy)peroxyaniline
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2-(4-methyl-1-phenylpentoxy)aniline
CID 139610143
2-[1-(2-aminophenoxy)-3-phenylpropoxy]aniline
CID 67573407
2-methoxyaniline;dihydrochloride
CID 69020746
propan-2-yl 2-(2-aminophenoxy)propanoate
CID 82027633
4-[(2-aminophenoxy)-iodomethyl]benzene-1,2-diamine
CID 88997771
2-methoxyaniline;titanium;trihydrochloride
CID 174872226
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 22338373

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-aminophenoxy)ethane-1,2-didiazonium?
The IUPAC name of 1,2-bis(2-aminophenoxy)ethane-1,2-didiazonium (CID 57145330) is 1,2-bis(2-aminophenoxy)ethane-1,2-didiazonium.
What is the SMILES notation for 1,2-bis(2-aminophenoxy)ethane-1,2-didiazonium?
The canonical SMILES for 1,2-bis(2-aminophenoxy)ethane-1,2-didiazonium is N#[N+]C(Oc1ccccc1N)C([N+]#N)Oc1ccccc1N.
What is the InChIKey of 1,2-bis(2-aminophenoxy)ethane-1,2-didiazonium?
The InChIKey is IJBWUCMLCGCALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c15-9-5-1-3-7-11(9)21-13(19-17)14(20-18)22-12-8-4-2-6-10(12)16/h1-8,13-14H,15-16H2/q+2.
What are the key properties of 1,2-bis(2-aminophenoxy)ethane-1,2-didiazonium?
1,2-bis(2-aminophenoxy)ethane-1,2-didiazonium has a molecular weight of 298.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-aminophenoxy)ethane-1,2-didiazonium is sourced from PubChem (CID 57145330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).