2-[2-(2-fluorophenoxy)butyl]-1-(2-methoxyphenyl)guanidine

C18H22FN3O2 — CID 111752680

IUPAC2-[2-(2-fluorophenoxy)butyl]-1-(2-methoxyphenyl)guanidine
SMILESCCC(C/N=C(\N)Nc1ccccc1OC)Oc1ccccc1F
InChIInChI=1S/C18H22FN3O2/c1-3-13(24-16-10-6-4-8-14(16)19)12-21-18(20)22-15-9-5-7-11-17(15)23-2/h4-11,13H,3,12H2,1-2H3,(H3,20,21,22)
InChIKeyBNDQAWMWYUZZAR-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.42
Rot. Bonds7

About 2-[2-(2-fluorophenoxy)butyl]-1-(2-methoxyphenyl)guanidine

2-[2-(2-fluorophenoxy)butyl]-1-(2-methoxyphenyl)guanidine (PubChem CID 111752680) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-[2-(2-fluorophenoxy)butyl]-1-(2-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[2-(2-fluorophenoxy)butyl]-1-(2-methoxyphenyl)guanidine
PubChem CID111752680
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name2-[2-(2-fluorophenoxy)butyl]-1-(2-methoxyphenyl)guanidine
SMILESCCC(C/N=C(\N)Nc1ccccc1OC)Oc1ccccc1F
InChIInChI=1S/C18H22FN3O2/c1-3-13(24-16-10-6-4-8-14(16)19)12-21-18(20)22-15-9-5-7-11-17(15)23-2/h4-11,13H,3,12H2,1-2H3,(H3,20,21,22)
InChIKeyBNDQAWMWYUZZAR-UHFFFAOYSA-N
XLogP3.42
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.42
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'}

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Related Compounds

2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine
CID 111752698
2-[2-(2-fluorophenoxy)butyl]-1-(2-methylprop-2-enyl)guanidine
CID 136921204
2-[2-(4-fluorophenoxy)propyl]-1-(2-methoxyphenyl)guanidine
CID 111820314
2-(2-ethylhexyl)-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111022489
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
2-[2-(2-bromophenoxy)propyl]-1-(2-methoxyphenyl)guanidine
CID 111752766
2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111090275
1-(2-methoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine
CID 111820248
N'-[2-(2-fluorophenoxy)butyl]morpholine-4-carboximidamide
CID 111752728
1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine
CID 111968011
1-cyclopropyl-2-[2-(2-fluorophenoxy)butyl]-1-methylguanidine;hydroiodide
CID 110031022
2-[2-(2,4-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111801626

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenoxy)butyl]-1-(2-methoxyphenyl)guanidine?
The IUPAC name of 2-[2-(2-fluorophenoxy)butyl]-1-(2-methoxyphenyl)guanidine (CID 111752680) is 2-[2-(2-fluorophenoxy)butyl]-1-(2-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[2-(2-fluorophenoxy)butyl]-1-(2-methoxyphenyl)guanidine?
The canonical SMILES for 2-[2-(2-fluorophenoxy)butyl]-1-(2-methoxyphenyl)guanidine is CCC(C/N=C(\N)Nc1ccccc1OC)Oc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenoxy)butyl]-1-(2-methoxyphenyl)guanidine?
The InChIKey is BNDQAWMWYUZZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-3-13(24-16-10-6-4-8-14(16)19)12-21-18(20)22-15-9-5-7-11-17(15)23-2/h4-11,13H,3,12H2,1-2H3,(H3,20,21,22).
What are the key properties of 2-[2-(2-fluorophenoxy)butyl]-1-(2-methoxyphenyl)guanidine?
2-[2-(2-fluorophenoxy)butyl]-1-(2-methoxyphenyl)guanidine has a molecular weight of 331.39 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenoxy)butyl]-1-(2-methoxyphenyl)guanidine is sourced from PubChem (CID 111752680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).