2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine

C9H11FN4O — CID 168592573

IUPAC2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine
SMILESCOc1cc(C=NN=C(N)N)ccc1F
InChIInChI=1S/C9H11FN4O/c1-15-8-4-6(2-3-7(8)10)5-13-14-9(11)12/h2-5H,1H3,(H4,11,12,14)
InChIKeyDEAYUCICUZWCSG-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.44
Rot. Bonds3

About 2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine

2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine (PubChem CID 168592573) has the molecular formula C9H11FN4O and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine
PubChem CID168592573
Molecular FormulaC9H11FN4O
Molecular Weight210.21 g/mol
Exact Mass210.09
IUPAC Name2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine
SMILESCOc1cc(C=NN=C(N)N)ccc1F
InChIInChI=1S/C9H11FN4O/c1-15-8-4-6(2-3-7(8)10)5-13-14-9(11)12/h2-5H,1H3,(H4,11,12,14)
InChIKeyDEAYUCICUZWCSG-UHFFFAOYSA-N
XLogP0.44
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
CID 135460252
2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine
CID 2716681
2-[(E)-[3-[5-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]pentoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 21195025
2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 87880684
2-[(E)-(4-fluoro-3-methylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880621
2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 2387812
2-[(3-bromo-4-fluorophenyl)methylideneamino]guanidine
CID 66841829
[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenyl] 2-methylpropanoate
CID 168590735
2-[(E)-[4-[(4-fluoro-2,3,5,6-tetramethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 143142829
2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110339029
2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine
CID 168591706
2-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592187

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine (CID 168592573) is 2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine is COc1cc(C=NN=C(N)N)ccc1F.
What is the InChIKey of 2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine?
The InChIKey is DEAYUCICUZWCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4O/c1-15-8-4-6(2-3-7(8)10)5-13-14-9(11)12/h2-5H,1H3,(H4,11,12,14).
What are the key properties of 2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine?
2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine has a molecular weight of 210.21 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168592573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).