1-ethyl-2-[(4-fluorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine

C17H21FN4 — CID 111232793

IUPAC1-ethyl-2-[(4-fluorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(F)cc1)NCc1cccc(C)n1
InChIInChI=1S/C17H21FN4/c1-3-19-17(20-11-14-7-9-15(18)10-8-14)21-12-16-6-4-5-13(2)22-16/h4-10H,3,11-12H2,1-2H3,(H2,19,20,21)
InChIKeyOSBGHOBZVWYDRW-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.78
Rot. Bonds5

About 1-ethyl-2-[(4-fluorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine

1-ethyl-2-[(4-fluorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine (PubChem CID 111232793) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-ethyl-2-[(4-fluorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(4-fluorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine
PubChem CID111232793
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC Name1-ethyl-2-[(4-fluorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(F)cc1)NCc1cccc(C)n1
InChIInChI=1S/C17H21FN4/c1-3-19-17(20-11-14-7-9-15(18)10-8-14)21-12-16-6-4-5-13(2)22-16/h4-10H,3,11-12H2,1-2H3,(H2,19,20,21)
InChIKeyOSBGHOBZVWYDRW-UHFFFAOYSA-N
XLogP2.78
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-ethyl-2-[(4-methylphenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111244928
1-ethyl-3-[(6-methyl-2-pyridinyl)methyl]-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111857533
1-[(4-fluorophenyl)methyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111233083
1-ethyl-2-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 109445865
1-ethyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[(4-fluorophenyl)methyl]guanidine
CID 111832733
2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111175645
2-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111938287
1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111678490
1-ethyl-2-[(4-fluorophenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine
CID 111232803
1-ethyl-3-[(6-methyl-2-pyridinyl)methyl]-2-[(2-prop-2-enoxyphenyl)methyl]guanidine;hydroiodide
CID 111555660
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 109401433
1-ethyl-2-[(4-fluorophenyl)methyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111617776

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(4-fluorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine?
The IUPAC name of 1-ethyl-2-[(4-fluorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine (CID 111232793) is 1-ethyl-2-[(4-fluorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[(4-fluorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-2-[(4-fluorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine is CCN/C(=N\Cc1ccc(F)cc1)NCc1cccc(C)n1.
What is the InChIKey of 1-ethyl-2-[(4-fluorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine?
The InChIKey is OSBGHOBZVWYDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4/c1-3-19-17(20-11-14-7-9-15(18)10-8-14)21-12-16-6-4-5-13(2)22-16/h4-10H,3,11-12H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-ethyl-2-[(4-fluorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine?
1-ethyl-2-[(4-fluorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine has a molecular weight of 300.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(4-fluorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111232793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).