2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide

C17H21FIN3O2 — CID 110924905

IUPAC2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
SMILESCOCCN/C(N)=N/Cc1ccc(Oc2ccc(F)cc2)cc1.I
InChIInChI=1S/C17H20FN3O2.HI/c1-22-11-10-20-17(19)21-12-13-2-6-15(7-3-13)23-16-8-4-14(18)5-9-16;/h2-9H,10-12H2,1H3,(H3,19,20,21);1H
InChIKeyPZMMBTCWXROPIT-UHFFFAOYSA-N
MW445.28 g/mol
LogP3.29
Rot. Bonds7

About 2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide

2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide (PubChem CID 110924905) has the molecular formula C17H21FIN3O2 and a molecular weight of 445.28 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
PubChem CID110924905
Molecular FormulaC17H21FIN3O2
Molecular Weight445.28 g/mol
Exact Mass445.07
IUPAC Name2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
SMILESCOCCN/C(N)=N/Cc1ccc(Oc2ccc(F)cc2)cc1.I
InChIInChI=1S/C17H20FN3O2.HI/c1-22-11-10-20-17(19)21-12-13-2-6-15(7-3-13)23-16-8-4-14(18)5-9-16;/h2-9H,10-12H2,1H3,(H3,19,20,21);1H
InChIKeyPZMMBTCWXROPIT-UHFFFAOYSA-N
XLogP3.29
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.28
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110914204
2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 51131423
2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine
CID 51131424
2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide
CID 111061286
1-(3-ethoxypropyl)-2-[(4-fluorophenyl)methyl]guanidine;hydroiodide
CID 111025700
2-[(3,4-dimethoxyphenyl)methyl]-1-[3-(4-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111088266
2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111037288
1-(3-ethoxypropyl)-2-[(4-fluorophenyl)methyl]guanidine
CID 111025701
1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 110916111
1-butyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine;hydroiodide
CID 111808577
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]guanidine;hydroiodide
CID 111025556
2-[(6-chloro-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110916458

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The IUPAC name of 2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide (CID 110924905) is 2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide is COCCN/C(N)=N/Cc1ccc(Oc2ccc(F)cc2)cc1.I.
What is the InChIKey of 2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The InChIKey is PZMMBTCWXROPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2.HI/c1-22-11-10-20-17(19)21-12-13-2-6-15(7-3-13)23-16-8-4-14(18)5-9-16;/h2-9H,10-12H2,1H3,(H3,19,20,21);1H.
What are the key properties of 2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide has a molecular weight of 445.28 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 110924905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).