1-ethyl-2-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[2-(furan-2-yl)ethyl]guanidine

C19H27FN4O — CID 111968927

IUPAC1-ethyl-2-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[2-(furan-2-yl)ethyl]guanidine
SMILESCCN/C(=N\CCN(C)Cc1ccc(F)cc1)NCCc1ccco1
InChIInChI=1S/C19H27FN4O/c1-3-21-19(22-11-10-18-5-4-14-25-18)23-12-13-24(2)15-16-6-8-17(20)9-7-16/h4-9,14H,3,10-13,15H2,1-2H3,(H2,21,22,23)
InChIKeyKPNYZNKQNSFSCR-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.65
Rot. Bonds9

About 1-ethyl-2-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[2-(furan-2-yl)ethyl]guanidine

1-ethyl-2-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[2-(furan-2-yl)ethyl]guanidine (PubChem CID 111968927) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-ethyl-2-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[2-(furan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[2-(furan-2-yl)ethyl]guanidine
PubChem CID111968927
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC Name1-ethyl-2-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[2-(furan-2-yl)ethyl]guanidine
SMILESCCN/C(=N\CCN(C)Cc1ccc(F)cc1)NCCc1ccco1
InChIInChI=1S/C19H27FN4O/c1-3-21-19(22-11-10-18-5-4-14-25-18)23-12-13-24(2)15-16-6-8-17(20)9-7-16/h4-9,14H,3,10-13,15H2,1-2H3,(H2,21,22,23)
InChIKeyKPNYZNKQNSFSCR-UHFFFAOYSA-N
XLogP2.65
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
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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Related Compounds

1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(furan-2-ylmethyl)guanidine
CID 111968007
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111355524
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-[2-(4-fluorophenyl)ethyl]guanidine
CID 111230673
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine
CID 111129563
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 111355622
2-(2-tert-butylsulfinylethyl)-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111831066
2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111785729
1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354201
1-[2-(4-fluorophenyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111228882
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652910
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pent-3-enylguanidine
CID 111587903
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354917

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[2-(furan-2-yl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[2-(furan-2-yl)ethyl]guanidine (CID 111968927) is 1-ethyl-2-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[2-(furan-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[2-(furan-2-yl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[2-(furan-2-yl)ethyl]guanidine is CCN/C(=N\CCN(C)Cc1ccc(F)cc1)NCCc1ccco1.
What is the InChIKey of 1-ethyl-2-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[2-(furan-2-yl)ethyl]guanidine?
The InChIKey is KPNYZNKQNSFSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O/c1-3-21-19(22-11-10-18-5-4-14-25-18)23-12-13-24(2)15-16-6-8-17(20)9-7-16/h4-9,14H,3,10-13,15H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-ethyl-2-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[2-(furan-2-yl)ethyl]guanidine?
1-ethyl-2-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[2-(furan-2-yl)ethyl]guanidine has a molecular weight of 346.45 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[2-(furan-2-yl)ethyl]guanidine is sourced from PubChem (CID 111968927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).