2-(4-fluorophenyl)-1-[3-hydroxy-5-(methoxymethyl)phenyl]guanidine

C15H16FN3O2 — CID 23103870

IUPAC2-(4-fluorophenyl)-1-[3-hydroxy-5-(methoxymethyl)phenyl]guanidine
SMILESCOCc1cc(O)cc(N/C(N)=N/c2ccc(F)cc2)c1
InChIInChI=1S/C15H16FN3O2/c1-21-9-10-6-13(8-14(20)7-10)19-15(17)18-12-4-2-11(16)3-5-12/h2-8,20H,9H2,1H3,(H3,17,18,19)
InChIKeyRCCZEZJUABWZCK-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.74
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[3-hydroxy-5-(methoxymethyl)phenyl]guanidine

2-(4-fluorophenyl)-1-[3-hydroxy-5-(methoxymethyl)phenyl]guanidine (PubChem CID 23103870) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[3-hydroxy-5-(methoxymethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[3-hydroxy-5-(methoxymethyl)phenyl]guanidine
PubChem CID23103870
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-(4-fluorophenyl)-1-[3-hydroxy-5-(methoxymethyl)phenyl]guanidine
SMILESCOCc1cc(O)cc(N/C(N)=N/c2ccc(F)cc2)c1
InChIInChI=1S/C15H16FN3O2/c1-21-9-10-6-13(8-14(20)7-10)19-15(17)18-12-4-2-11(16)3-5-12/h2-8,20H,9H2,1H3,(H3,17,18,19)
InChIKeyRCCZEZJUABWZCK-UHFFFAOYSA-N
XLogP2.74
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.74
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[3-hydroxy-5-(methoxymethyl)phenyl]guanidine?
The IUPAC name of 2-(4-fluorophenyl)-1-[3-hydroxy-5-(methoxymethyl)phenyl]guanidine (CID 23103870) is 2-(4-fluorophenyl)-1-[3-hydroxy-5-(methoxymethyl)phenyl]guanidine.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[3-hydroxy-5-(methoxymethyl)phenyl]guanidine?
The canonical SMILES for 2-(4-fluorophenyl)-1-[3-hydroxy-5-(methoxymethyl)phenyl]guanidine is COCc1cc(O)cc(N/C(N)=N/c2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[3-hydroxy-5-(methoxymethyl)phenyl]guanidine?
The InChIKey is RCCZEZJUABWZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-21-9-10-6-13(8-14(20)7-10)19-15(17)18-12-4-2-11(16)3-5-12/h2-8,20H,9H2,1H3,(H3,17,18,19).
What are the key properties of 2-(4-fluorophenyl)-1-[3-hydroxy-5-(methoxymethyl)phenyl]guanidine?
2-(4-fluorophenyl)-1-[3-hydroxy-5-(methoxymethyl)phenyl]guanidine has a molecular weight of 289.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[3-hydroxy-5-(methoxymethyl)phenyl]guanidine is sourced from PubChem (CID 23103870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).