2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine

C18H22FN5O — CID 119120610

IUPAC2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine
SMILESN/C(=N\CC(c1cccc(F)c1)N1CCOCC1)Nc1ccccn1
InChIInChI=1S/C18H22FN5O/c19-15-5-3-4-14(12-15)16(24-8-10-25-11-9-24)13-22-18(20)23-17-6-1-2-7-21-17/h1-7,12,16H,8-11,13H2,(H3,20,21,22,23)
InChIKeyGONSUWIFNOPLFM-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.02
Rot. Bonds5

About 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine

2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine (PubChem CID 119120610) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine
PubChem CID119120610
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine
SMILESN/C(=N\CC(c1cccc(F)c1)N1CCOCC1)Nc1ccccn1
InChIInChI=1S/C18H22FN5O/c19-15-5-3-4-14(12-15)16(24-8-10-25-11-9-24)13-22-18(20)23-17-6-1-2-7-21-17/h1-7,12,16H,8-11,13H2,(H3,20,21,22,23)
InChIKeyGONSUWIFNOPLFM-UHFFFAOYSA-N
XLogP2.02
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119120609
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110916922
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111085609
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide
CID 111085600
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine
CID 110925404
2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111028097
2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-pyridin-2-ylguanidine
CID 119117303
1-(3-methylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054791
2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111028105
1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054829
2-(2-morpholin-4-ylethyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 119117134
2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120558132

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine?
The IUPAC name of 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine (CID 119120610) is 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine?
The canonical SMILES for 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine is N/C(=N\CC(c1cccc(F)c1)N1CCOCC1)Nc1ccccn1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine?
The InChIKey is GONSUWIFNOPLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c19-15-5-3-4-14(12-15)16(24-8-10-25-11-9-24)13-22-18(20)23-17-6-1-2-7-21-17/h1-7,12,16H,8-11,13H2,(H3,20,21,22,23).
What are the key properties of 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine?
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine has a molecular weight of 343.41 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine is sourced from PubChem (CID 119120610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).