3-amino-N-hydroxy-4-(2-phenylethenyl)benzeneamine oxide

C14H14N2O2 — CID 163169855

IUPAC3-amino-N-hydroxy-4-(2-phenylethenyl)benzeneamine oxide
SMILESNc1cc([NH+]([O-])O)ccc1C=Cc1ccccc1
InChIInChI=1S/C14H14N2O2/c15-14-10-13(16(17)18)9-8-12(14)7-6-11-4-2-1-3-5-11/h1-10,16-17H,15H2
InChIKeyUXJUAWKONXGBBD-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.84
Rot. Bonds3

About 3-amino-N-hydroxy-4-(2-phenylethenyl)benzeneamine oxide

3-amino-N-hydroxy-4-(2-phenylethenyl)benzeneamine oxide (PubChem CID 163169855) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-amino-N-hydroxy-4-(2-phenylethenyl)benzeneamine oxide.

Molecular Properties

Compound Name3-amino-N-hydroxy-4-(2-phenylethenyl)benzeneamine oxide
PubChem CID163169855
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-amino-N-hydroxy-4-(2-phenylethenyl)benzeneamine oxide
SMILESNc1cc([NH+]([O-])O)ccc1C=Cc1ccccc1
InChIInChI=1S/C14H14N2O2/c15-14-10-13(16(17)18)9-8-12(14)7-6-11-4-2-1-3-5-11/h1-10,16-17H,15H2
InChIKeyUXJUAWKONXGBBD-UHFFFAOYSA-N
XLogP1.84
TPSA73.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-aminophenyl)ethenyl]-1-N,3-N-dihydroxy-6-[2-[3-[hydroxy(oxido)azaniumyl]phenyl]ethenyl]benzene-1,3-diamine oxide
CID 163124127
2-phenylethanol;4-(2-phenylethenyl)benzene-1,3-diamine
CID 159406266
N-[3-amino-4-(2-phenylethenyl)phenyl]prop-2-enamide
CID 154139175
5-nitro-2-(2-phenylethenyl)aniline;2,4,6-trinitrophenol
CID 2749348
2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene
CID 71373696
2,3-bis[(E)-2-phenylethenyl]aniline
CID 22251468
3-[5-hydroxy-2-(2-phenylethenyl)phenyl]-4-(2-phenylethenyl)phenol
CID 68866256
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
3-(2-phenylethenyl)benzene-1,2-diamine;propan-1-ol
CID 174558761
4-amino-3-(2-phenylethenyl)benzoyl chloride
CID 174665698
4-[(Z)-2-phenylethenyl]-2-[(E)-2-phenylethenyl]benzene-1,3,5-triamine
CID 51521223
CID 70569152
CID 70569152

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hydroxy-4-(2-phenylethenyl)benzeneamine oxide?
The IUPAC name of 3-amino-N-hydroxy-4-(2-phenylethenyl)benzeneamine oxide (CID 163169855) is 3-amino-N-hydroxy-4-(2-phenylethenyl)benzeneamine oxide.
What is the SMILES notation for 3-amino-N-hydroxy-4-(2-phenylethenyl)benzeneamine oxide?
The canonical SMILES for 3-amino-N-hydroxy-4-(2-phenylethenyl)benzeneamine oxide is Nc1cc([NH+]([O-])O)ccc1C=Cc1ccccc1.
What is the InChIKey of 3-amino-N-hydroxy-4-(2-phenylethenyl)benzeneamine oxide?
The InChIKey is UXJUAWKONXGBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-14-10-13(16(17)18)9-8-12(14)7-6-11-4-2-1-3-5-11/h1-10,16-17H,15H2.
What are the key properties of 3-amino-N-hydroxy-4-(2-phenylethenyl)benzeneamine oxide?
3-amino-N-hydroxy-4-(2-phenylethenyl)benzeneamine oxide has a molecular weight of 242.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hydroxy-4-(2-phenylethenyl)benzeneamine oxide is sourced from PubChem (CID 163169855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).