1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine

C17H21F2N3O2 — CID 111838827

IUPAC1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1ccco1)NCCOc1ccc(F)c(F)c1
InChIInChI=1S/C17H21F2N3O2/c1-2-20-17(21-8-7-13-4-3-10-23-13)22-9-11-24-14-5-6-15(18)16(19)12-14/h3-6,10,12H,2,7-9,11H2,1H3,(H2,20,21,22)
InChIKeyFCRYXTXIUQGYDT-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.73
Rot. Bonds8

About 1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine

1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine (PubChem CID 111838827) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine
PubChem CID111838827
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1ccco1)NCCOc1ccc(F)c(F)c1
InChIInChI=1S/C17H21F2N3O2/c1-2-20-17(21-8-7-13-4-3-10-23-13)22-9-11-24-14-5-6-15(18)16(19)12-14/h3-6,10,12H,2,7-9,11H2,1H3,(H2,20,21,22)
InChIKeyFCRYXTXIUQGYDT-UHFFFAOYSA-N
XLogP2.73
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111835802
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(4-methoxyphenoxy)ethyl]guanidine
CID 111399243
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 111356537
1-ethyl-2-(furan-2-ylmethyl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]guanidine;hydroiodide
CID 110937751
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111354881
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937367
2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111499619
1-ethyl-2-(furan-2-ylmethyl)-3-[3-(3-methoxyphenoxy)propyl]guanidine
CID 111790022
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111353749
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 111354784
1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111839371
1-ethyl-2-(furan-2-ylmethyl)-3-[3-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111790021

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine?
The IUPAC name of 1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine (CID 111838827) is 1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine?
The canonical SMILES for 1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine is CCN/C(=N\CCc1ccco1)NCCOc1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine?
The InChIKey is FCRYXTXIUQGYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-2-20-17(21-8-7-13-4-3-10-23-13)22-9-11-24-14-5-6-15(18)16(19)12-14/h3-6,10,12H,2,7-9,11H2,1H3,(H2,20,21,22).
What are the key properties of 1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine?
1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine has a molecular weight of 337.37 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine is sourced from PubChem (CID 111838827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).