2-[4-(4-fluorophenoxy)butyl]-1-phenylguanidine

C17H20FN3O — CID 110925211

IUPAC2-[4-(4-fluorophenoxy)butyl]-1-phenylguanidine
SMILESN/C(=N\CCCCOc1ccc(F)cc1)Nc1ccccc1
InChIInChI=1S/C17H20FN3O/c18-14-8-10-16(11-9-14)22-13-5-4-12-20-17(19)21-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13H2,(H3,19,20,21)
InChIKeyXNSFCBLLVVCRTH-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.41
Rot. Bonds7

About 2-[4-(4-fluorophenoxy)butyl]-1-phenylguanidine

2-[4-(4-fluorophenoxy)butyl]-1-phenylguanidine (PubChem CID 110925211) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[4-(4-fluorophenoxy)butyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[4-(4-fluorophenoxy)butyl]-1-phenylguanidine
PubChem CID110925211
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name2-[4-(4-fluorophenoxy)butyl]-1-phenylguanidine
SMILESN/C(=N\CCCCOc1ccc(F)cc1)Nc1ccccc1
InChIInChI=1S/C17H20FN3O/c18-14-8-10-16(11-9-14)22-13-5-4-12-20-17(19)21-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13H2,(H3,19,20,21)
InChIKeyXNSFCBLLVVCRTH-UHFFFAOYSA-N
XLogP3.41
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-(3,5-dimethylphenyl)-2-[4-(4-fluorophenoxy)butyl]guanidine;hydroiodide
CID 111037157
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088263
2-[3-(2-methylphenoxy)propyl]-1-phenylguanidine;hydroiodide
CID 111803609
2-dodecyl-1-phenylguanidine
CID 101076594
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
1-phenyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 110914988
2-(3-anilinopropyl)-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111088121
1-(3,4-dimethylphenyl)-2-(3-phenoxypropyl)guanidine
CID 111036910
1-phenyl-2-(3-phenylpropyl)guanidine
CID 62362092
1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088217
2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine
CID 100667411
2-(2-hydroxyethyl)-1-phenylguanidine
CID 57066728

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenoxy)butyl]-1-phenylguanidine?
The IUPAC name of 2-[4-(4-fluorophenoxy)butyl]-1-phenylguanidine (CID 110925211) is 2-[4-(4-fluorophenoxy)butyl]-1-phenylguanidine.
What is the SMILES notation for 2-[4-(4-fluorophenoxy)butyl]-1-phenylguanidine?
The canonical SMILES for 2-[4-(4-fluorophenoxy)butyl]-1-phenylguanidine is N/C(=N\CCCCOc1ccc(F)cc1)Nc1ccccc1.
What is the InChIKey of 2-[4-(4-fluorophenoxy)butyl]-1-phenylguanidine?
The InChIKey is XNSFCBLLVVCRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c18-14-8-10-16(11-9-14)22-13-5-4-12-20-17(19)21-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13H2,(H3,19,20,21).
What are the key properties of 2-[4-(4-fluorophenoxy)butyl]-1-phenylguanidine?
2-[4-(4-fluorophenoxy)butyl]-1-phenylguanidine has a molecular weight of 301.37 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenoxy)butyl]-1-phenylguanidine is sourced from PubChem (CID 110925211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).