2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine

C10H11F3N4O — CID 87880684

IUPAC2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine
SMILESCOc1ccc(/C=N/N=C(N)N)cc1C(F)(F)F
InChIInChI=1S/C10H11F3N4O/c1-18-8-3-2-6(5-16-17-9(14)15)4-7(8)10(11,12)13/h2-5H,1H3,(H4,14,15,17)/b16-5+
InChIKeyMXSDZFRGLHVQDQ-FZSIALSZSA-N
MW260.22 g/mol
LogP1.32
Rot. Bonds3

About 2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine

2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine (PubChem CID 87880684) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine
PubChem CID87880684
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine
SMILESCOc1ccc(/C=N/N=C(N)N)cc1C(F)(F)F
InChIInChI=1S/C10H11F3N4O/c1-18-8-3-2-6(5-16-17-9(14)15)4-7(8)10(11,12)13/h2-5H,1H3,(H4,14,15,17)/b16-5+
InChIKeyMXSDZFRGLHVQDQ-FZSIALSZSA-N
XLogP1.32
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.32
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-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine
CID 168592573
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-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine
CID 168591706
2-[[4-fluoro-2-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 168591331
2-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592187
5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxybenzenesulfonic acid;hydrochloride
CID 54601430
(E)-3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 117333672
2-[[3-(trifluoromethyl)-1-benzothiophen-5-yl]methylideneamino]guanidine
CID 168591638
2-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]guanidine;hydrochloride
CID 118705656
[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenyl] 2-methylpropanoate
CID 168590735

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine (CID 87880684) is 2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine is COc1ccc(/C=N/N=C(N)N)cc1C(F)(F)F.
What is the InChIKey of 2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine?
The InChIKey is MXSDZFRGLHVQDQ-FZSIALSZSA-N. The full InChI is InChI=1S/C10H11F3N4O/c1-18-8-3-2-6(5-16-17-9(14)15)4-7(8)10(11,12)13/h2-5H,1H3,(H4,14,15,17)/b16-5+.
What are the key properties of 2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine?
2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine has a molecular weight of 260.22 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 87880684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).