[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide

C11H17IN2O2 — CID 135534535

IUPAC[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide
SMILESCOc1cc(/C=N/[N+](C)(C)C)ccc1O.[I-]
InChIInChI=1S/C11H16N2O2.HI/c1-13(2,3)12-8-9-5-6-10(14)11(7-9)15-4;/h5-8H,1-4H3;1H
InChIKeyNITIPCHTJMUMRV-UHFFFAOYSA-N
MW336.17 g/mol
LogP-1.56
Rot. Bonds3

About [(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide

[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide (PubChem CID 135534535) has the molecular formula C11H17IN2O2 and a molecular weight of 336.17 g/mol. Its IUPAC name is [(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide.

Molecular Properties

Compound Name[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide
PubChem CID135534535
Molecular FormulaC11H17IN2O2
Molecular Weight336.17 g/mol
Exact Mass336.03
IUPAC Name[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide
SMILESCOc1cc(/C=N/[N+](C)(C)C)ccc1O.[I-]
InChIInChI=1S/C11H16N2O2.HI/c1-13(2,3)12-8-9-5-6-10(14)11(7-9)15-4;/h5-8H,1-4H3;1H
InChIKeyNITIPCHTJMUMRV-UHFFFAOYSA-N
XLogP-1.56
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium
CID 135485458
4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol
CID 136828234
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
CID 135460252
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
4-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-2-methoxyphenol
CID 154979830
4-[(4-fluorophenyl)iminomethyl]-2-methoxyphenol
CID 693204
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135491260
CID 130345281
CID 130345281
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol
CID 620472
4-[(2,4-dimethylphenyl)iminomethyl]-2-methoxyphenol
CID 693352

Frequently Asked Questions

What is the IUPAC name of [(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide?
The IUPAC name of [(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide (CID 135534535) is [(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide.
What is the SMILES notation for [(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide?
The canonical SMILES for [(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide is COc1cc(/C=N/[N+](C)(C)C)ccc1O.[I-].
What is the InChIKey of [(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide?
The InChIKey is NITIPCHTJMUMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.HI/c1-13(2,3)12-8-9-5-6-10(14)11(7-9)15-4;/h5-8H,1-4H3;1H.
What are the key properties of [(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide?
[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide has a molecular weight of 336.17 g/mol, XLogP of -1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide is sourced from PubChem (CID 135534535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).