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

C18H25FN4O — CID 111968007

IUPAC1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCCN(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H25FN4O/c1-3-20-18(22-13-17-5-4-12-24-17)21-10-11-23(2)14-15-6-8-16(19)9-7-15/h4-9,12H,3,10-11,13-14H2,1-2H3,(H2,20,21,22)
InChIKeyLPUFKLDRZQKYSE-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.61
Rot. Bonds8

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

1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(furan-2-ylmethyl)guanidine (PubChem CID 111968007) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is 1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(furan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(furan-2-ylmethyl)guanidine
PubChem CID111968007
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCCN(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H25FN4O/c1-3-20-18(22-13-17-5-4-12-24-17)21-10-11-23(2)14-15-6-8-16(19)9-7-15/h4-9,12H,3,10-11,13-14H2,1-2H3,(H2,20,21,22)
InChIKeyLPUFKLDRZQKYSE-UHFFFAOYSA-N
XLogP2.61
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.61
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-2-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[2-(furan-2-yl)ethyl]guanidine
CID 111968927
1-ethyl-2-(furan-2-ylmethyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111650654
1-ethyl-3-[3-(4-fluorophenyl)sulfanylpropyl]-2-(furan-2-ylmethyl)guanidine
CID 110937924
1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111980664
1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-(furan-2-ylmethyl)guanidine
CID 111833695
1-[2-(4-chlorophenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 110938060
1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
1-ethyl-2-(furan-2-ylmethyl)-3-[3-(4-hydroxyphenyl)propyl]guanidine
CID 111790018
1-ethyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(furan-2-ylmethyl)guanidine
CID 110938928
1-ethyl-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(furan-2-ylmethyl)guanidine
CID 111544295
1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111968364
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(furan-2-ylmethyl)guanidine
CID 110937454

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(furan-2-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(furan-2-ylmethyl)guanidine (CID 111968007) is 1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(furan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(furan-2-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(furan-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccco1)NCCN(C)Cc1ccc(F)cc1.
What is the InChIKey of 1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(furan-2-ylmethyl)guanidine?
The InChIKey is LPUFKLDRZQKYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-3-20-18(22-13-17-5-4-12-24-17)21-10-11-23(2)14-15-6-8-16(19)9-7-15/h4-9,12H,3,10-11,13-14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(furan-2-ylmethyl)guanidine?
1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(furan-2-ylmethyl)guanidine has a molecular weight of 332.42 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(furan-2-ylmethyl)guanidine is sourced from PubChem (CID 111968007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).