1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine

C19H24F3N3O3 — CID 111672430

IUPAC1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H24F3N3O3/c1-3-23-17(25-13-18(2,26)16-5-4-12-27-16)24-11-10-14-6-8-15(9-7-14)28-19(20,21)22/h4-9,12,26H,3,10-11,13H2,1-2H3,(H2,23,24,25)
InChIKeyLXXOZJIDNPGFIP-UHFFFAOYSA-N
MW399.41 g/mol
LogP3.18
Rot. Bonds8

About 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine

1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine (PubChem CID 111672430) has the molecular formula C19H24F3N3O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine
PubChem CID111672430
Molecular FormulaC19H24F3N3O3
Molecular Weight399.41 g/mol
Exact Mass399.18
IUPAC Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H24F3N3O3/c1-3-23-17(25-13-18(2,26)16-5-4-12-27-16)24-11-10-14-6-8-15(9-7-14)28-19(20,21)22/h4-9,12,26H,3,10-11,13H2,1-2H3,(H2,23,24,25)
InChIKeyLXXOZJIDNPGFIP-UHFFFAOYSA-N
XLogP3.18
TPSA79.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.18
H-Bond Donors ≤ 53
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

methyl 4-[2-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]ethyl]benzoate;hydroiodide
CID 111672333
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111513312
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine
CID 111512874
1-[2-(3-bromo-4-fluorophenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111672087
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(4-methoxyphenoxy)propyl]guanidine
CID 111672052
1-[2-(4-bromophenoxy)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111672591
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-hexylguanidine
CID 111511216
1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111664383
1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111672514
N-[2-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 111671916
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111672364
N-[2-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111672329

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine (CID 111672430) is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine is CCN/C(=N\CC(C)(O)c1ccco1)NCCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine?
The InChIKey is LXXOZJIDNPGFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O3/c1-3-23-17(25-13-18(2,26)16-5-4-12-27-16)24-11-10-14-6-8-15(9-7-14)28-19(20,21)22/h4-9,12,26H,3,10-11,13H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine?
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine has a molecular weight of 399.41 g/mol, XLogP of 3.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine is sourced from PubChem (CID 111672430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).