2-[2-(4-fluorophenyl)ethyl]guanidine

C9H12FN3 — CID 7176009

IUPAC2-[2-(4-fluorophenyl)ethyl]guanidine
SMILESNC(N)=NCCc1ccc(F)cc1
InChIInChI=1S/C9H12FN3/c10-8-3-1-7(2-4-8)5-6-13-9(11)12/h1-4H,5-6H2,(H4,11,12,13)
InChIKeyAEMZZSYUUZSWMF-UHFFFAOYSA-N
MW181.21 g/mol
LogP0.64
Rot. Bonds3

About 2-[2-(4-fluorophenyl)ethyl]guanidine

2-[2-(4-fluorophenyl)ethyl]guanidine (PubChem CID 7176009) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethyl]guanidine
PubChem CID7176009
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name2-[2-(4-fluorophenyl)ethyl]guanidine
SMILESNC(N)=NCCc1ccc(F)cc1
InChIInChI=1S/C9H12FN3/c10-8-3-1-7(2-4-8)5-6-13-9(11)12/h1-4H,5-6H2,(H4,11,12,13)
InChIKeyAEMZZSYUUZSWMF-UHFFFAOYSA-N
XLogP0.64
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-fluorophenyl)butyl]guanidine
CID 95440579
1-cyano-2-[2-(4-fluorophenyl)ethyl]guanidine
CID 142011632
2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 110912022
2-[2-(4-propan-2-ylphenyl)ethyl]guanidine;hydrochloride
CID 141469459
2-[N'-[2-(4-fluorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine
CID 118466379
2-[2-[4-[3-[4-[2-(diaminomethylideneamino)ethyl]phenyl]propyl]phenyl]ethyl]guanidine;bis(2,2,2-trifluoroacetic acid)
CID 159968518
2-[2-(3-bromo-4-fluorophenyl)ethyl]guanidine;hydroiodide
CID 110917301
1,3-diethyl-2-[2-(4-fluorophenyl)ethyl]guanidine
CID 110924914
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570
N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919526
2-[2-[4-[[2,4,5-tris[[4-[2-(diaminomethylideneamino)ethyl]phenoxy]methyl]phenyl]methoxy]phenyl]ethyl]guanidine
CID 118715677

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethyl]guanidine?
The IUPAC name of 2-[2-(4-fluorophenyl)ethyl]guanidine (CID 7176009) is 2-[2-(4-fluorophenyl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl]guanidine?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl]guanidine is NC(N)=NCCc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl]guanidine?
The InChIKey is AEMZZSYUUZSWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c10-8-3-1-7(2-4-8)5-6-13-9(11)12/h1-4H,5-6H2,(H4,11,12,13).
What are the key properties of 2-[2-(4-fluorophenyl)ethyl]guanidine?
2-[2-(4-fluorophenyl)ethyl]guanidine has a molecular weight of 181.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethyl]guanidine is sourced from PubChem (CID 7176009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).