2-[(E)-2-(2-aminophenyl)ethenyl]aniline;bis(dihydroxy(oxo)phosphanium)

C14H18N2O6P2+2 — CID 88516542

IUPAC2-[(E)-2-(2-aminophenyl)ethenyl]aniline;bis(dihydroxy(oxo)phosphanium)
SMILESNc1ccccc1/C=C/c1ccccc1N.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C14H14N2.2HO3P/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16;2*1-4(2)3/h1-10H,15-16H2;2*(H-,1,2,3)/p+2/b10-9+;;
InChIKeyIZDRDZVASUKZQB-TTWKNDKESA-P
MW372.25 g/mol
LogP2.28
Rot. Bonds2

About 2-[(E)-2-(2-aminophenyl)ethenyl]aniline;bis(dihydroxy(oxo)phosphanium)

2-[(E)-2-(2-aminophenyl)ethenyl]aniline;bis(dihydroxy(oxo)phosphanium) (PubChem CID 88516542) has the molecular formula C14H18N2O6P2+2 and a molecular weight of 372.25 g/mol. Its IUPAC name is 2-[(E)-2-(2-aminophenyl)ethenyl]aniline;bis(dihydroxy(oxo)phosphanium).

Molecular Properties

Compound Name2-[(E)-2-(2-aminophenyl)ethenyl]aniline;bis(dihydroxy(oxo)phosphanium)
PubChem CID88516542
Molecular FormulaC14H18N2O6P2+2
Molecular Weight372.25 g/mol
Exact Mass372.06
IUPAC Name2-[(E)-2-(2-aminophenyl)ethenyl]aniline;bis(dihydroxy(oxo)phosphanium)
SMILESNc1ccccc1/C=C/c1ccccc1N.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C14H14N2.2HO3P/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16;2*1-4(2)3/h1-10H,15-16H2;2*(H-,1,2,3)/p+2/b10-9+;;
InChIKeyIZDRDZVASUKZQB-TTWKNDKESA-P
XLogP2.28
TPSA167.10 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.25
LogP ≤ 52.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-aminophenyl)ethenyl]aniline;bis(dihydroxy(oxo)phosphanium)?
The IUPAC name of 2-[(E)-2-(2-aminophenyl)ethenyl]aniline;bis(dihydroxy(oxo)phosphanium) (CID 88516542) is 2-[(E)-2-(2-aminophenyl)ethenyl]aniline;bis(dihydroxy(oxo)phosphanium).
What is the SMILES notation for 2-[(E)-2-(2-aminophenyl)ethenyl]aniline;bis(dihydroxy(oxo)phosphanium)?
The canonical SMILES for 2-[(E)-2-(2-aminophenyl)ethenyl]aniline;bis(dihydroxy(oxo)phosphanium) is Nc1ccccc1/C=C/c1ccccc1N.O=[P+](O)O.O=[P+](O)O.
What is the InChIKey of 2-[(E)-2-(2-aminophenyl)ethenyl]aniline;bis(dihydroxy(oxo)phosphanium)?
The InChIKey is IZDRDZVASUKZQB-TTWKNDKESA-P. The full InChI is InChI=1S/C14H14N2.2HO3P/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16;2*1-4(2)3/h1-10H,15-16H2;2*(H-,1,2,3)/p+2/b10-9+;;.
What are the key properties of 2-[(E)-2-(2-aminophenyl)ethenyl]aniline;bis(dihydroxy(oxo)phosphanium)?
2-[(E)-2-(2-aminophenyl)ethenyl]aniline;bis(dihydroxy(oxo)phosphanium) has a molecular weight of 372.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-aminophenyl)ethenyl]aniline;bis(dihydroxy(oxo)phosphanium) is sourced from PubChem (CID 88516542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).