2-benzyl-1-[(4-fluorophenyl)methyl]guanidine

C15H16FN3 — CID 47042983

IUPAC2-benzyl-1-[(4-fluorophenyl)methyl]guanidine
SMILESN/C(=N\Cc1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C15H16FN3/c16-14-8-6-13(7-9-14)11-19-15(17)18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H3,17,18,19)
InChIKeyMMUSRVYCFNVJID-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.43
Rot. Bonds4

About 2-benzyl-1-[(4-fluorophenyl)methyl]guanidine

2-benzyl-1-[(4-fluorophenyl)methyl]guanidine (PubChem CID 47042983) has the molecular formula C15H16FN3 and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-benzyl-1-[(4-fluorophenyl)methyl]guanidine.

Molecular Properties

Compound Name2-benzyl-1-[(4-fluorophenyl)methyl]guanidine
PubChem CID47042983
Molecular FormulaC15H16FN3
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC Name2-benzyl-1-[(4-fluorophenyl)methyl]guanidine
SMILESN/C(=N\Cc1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C15H16FN3/c16-14-8-6-13(7-9-14)11-19-15(17)18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H3,17,18,19)
InChIKeyMMUSRVYCFNVJID-UHFFFAOYSA-N
XLogP2.43
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-benzyl-1-[(4-fluorophenyl)methyl]guanidine?
The IUPAC name of 2-benzyl-1-[(4-fluorophenyl)methyl]guanidine (CID 47042983) is 2-benzyl-1-[(4-fluorophenyl)methyl]guanidine.
What is the SMILES notation for 2-benzyl-1-[(4-fluorophenyl)methyl]guanidine?
The canonical SMILES for 2-benzyl-1-[(4-fluorophenyl)methyl]guanidine is N/C(=N\Cc1ccccc1)NCc1ccc(F)cc1.
What is the InChIKey of 2-benzyl-1-[(4-fluorophenyl)methyl]guanidine?
The InChIKey is MMUSRVYCFNVJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3/c16-14-8-6-13(7-9-14)11-19-15(17)18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H3,17,18,19).
What are the key properties of 2-benzyl-1-[(4-fluorophenyl)methyl]guanidine?
2-benzyl-1-[(4-fluorophenyl)methyl]guanidine has a molecular weight of 257.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[(4-fluorophenyl)methyl]guanidine is sourced from PubChem (CID 47042983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).