2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine

C14H13FN4 — CID 168590584

IUPAC2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C14H13FN4/c15-13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-18-19-14(16)17/h1-9H,(H4,16,17,19)
InChIKeyQCCQTGUFWDMZCB-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.10
Rot. Bonds3

About 2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine

2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine (PubChem CID 168590584) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine
PubChem CID168590584
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C14H13FN4/c15-13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-18-19-14(16)17/h1-9H,(H4,16,17,19)
InChIKeyQCCQTGUFWDMZCB-UHFFFAOYSA-N
XLogP2.10
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine
CID 134136656
2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride
CID 86278990
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
(Z)-3-[3-(3-fluorophenyl)phenyl]prop-2-enamide
CID 170876888
2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]guanidine
CID 168592367
2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880611
2-[(3-bromo-4-fluorophenyl)methylideneamino]guanidine
CID 66841829
2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine
CID 168592270
2-[(E)-(3-butoxyphenyl)methylideneamino]guanidine
CID 110340446
2-[(3-ethoxyphenyl)methylideneamino]guanidine
CID 76880079
2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine
CID 168591423
2-[(E)-(4-fluoro-3-methylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880621

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine (CID 168590584) is 2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1cccc(-c2cccc(F)c2)c1.
What is the InChIKey of 2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine?
The InChIKey is QCCQTGUFWDMZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c15-13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-18-19-14(16)17/h1-9H,(H4,16,17,19).
What are the key properties of 2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine?
2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine has a molecular weight of 256.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168590584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).