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

C11H16FN3 — CID 95440579

IUPAC2-[4-(4-fluorophenyl)butyl]guanidine
SMILESNC(N)=NCCCCc1ccc(F)cc1
InChIInChI=1S/C11H16FN3/c12-10-6-4-9(5-7-10)3-1-2-8-15-11(13)14/h4-7H,1-3,8H2,(H4,13,14,15)
InChIKeyRSYZTUGMVRNXOK-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.42
Rot. Bonds5

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

2-[4-(4-fluorophenyl)butyl]guanidine (PubChem CID 95440579) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)butyl]guanidine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)butyl]guanidine
PubChem CID95440579
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name2-[4-(4-fluorophenyl)butyl]guanidine
SMILESNC(N)=NCCCCc1ccc(F)cc1
InChIInChI=1S/C11H16FN3/c12-10-6-4-9(5-7-10)3-1-2-8-15-11(13)14/h4-7H,1-3,8H2,(H4,13,14,15)
InChIKeyRSYZTUGMVRNXOK-UHFFFAOYSA-N
XLogP1.42
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-fluorophenyl)ethyl]guanidine
CID 7176009
2-[3-(4-methylphenyl)propyl]guanidine
CID 95436878
2-[4-(1H-pyrrol-3-yl)butyl]guanidine
CID 95435957
11-(4-fluorophenyl)undecanamide
CID 144640590
2-(3-phenylpropyl)guanidine;hydrochloride
CID 141469420
6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide
CID 10595892
6-(4-fluorophenyl)hexan-1-amine
CID 18470415
2-[2-[4-[3-[4-[2-(diaminomethylideneamino)ethyl]phenyl]propyl]phenyl]ethyl]guanidine;bis(2,2,2-trifluoroacetic acid)
CID 159968518
1-(5-chloropentyl)-4-fluorobenzene
CID 57030730
3-(4-fluorophenyl)-N'-hydroxypropanimidamide
CID 140529999
2-[3-(4-fluorophenoxy)propyl]guanidine;nitric acid
CID 117067493
2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 110912022

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)butyl]guanidine?
The IUPAC name of 2-[4-(4-fluorophenyl)butyl]guanidine (CID 95440579) is 2-[4-(4-fluorophenyl)butyl]guanidine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)butyl]guanidine?
The canonical SMILES for 2-[4-(4-fluorophenyl)butyl]guanidine is NC(N)=NCCCCc1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)butyl]guanidine?
The InChIKey is RSYZTUGMVRNXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c12-10-6-4-9(5-7-10)3-1-2-8-15-11(13)14/h4-7H,1-3,8H2,(H4,13,14,15).
What are the key properties of 2-[4-(4-fluorophenyl)butyl]guanidine?
2-[4-(4-fluorophenyl)butyl]guanidine has a molecular weight of 209.27 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)butyl]guanidine is sourced from PubChem (CID 95440579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).