1-cyclopropyl-2-[2-(2,4-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide

C14H20F2IN3 — CID 111549026

IUPAC1-cyclopropyl-2-[2-(2,4-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CCc1ccc(F)cc1F)NC1CC1.I
InChIInChI=1S/C14H19F2N3.HI/c1-2-17-14(19-12-5-6-12)18-8-7-10-3-4-11(15)9-13(10)16;/h3-4,9,12H,2,5-8H2,1H3,(H2,17,18,19);1H
InChIKeyUFKNOZSEGDVEGX-UHFFFAOYSA-N
MW395.24 g/mol
LogP2.84
Rot. Bonds5

About 1-cyclopropyl-2-[2-(2,4-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide

1-cyclopropyl-2-[2-(2,4-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide (PubChem CID 111549026) has the molecular formula C14H20F2IN3 and a molecular weight of 395.24 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(2,4-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(2,4-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
PubChem CID111549026
Molecular FormulaC14H20F2IN3
Molecular Weight395.24 g/mol
Exact Mass395.07
IUPAC Name1-cyclopropyl-2-[2-(2,4-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CCc1ccc(F)cc1F)NC1CC1.I
InChIInChI=1S/C14H19F2N3.HI/c1-2-17-14(19-12-5-6-12)18-8-7-10-3-4-11(15)9-13(10)16;/h3-4,9,12H,2,5-8H2,1H3,(H2,17,18,19);1H
InChIKeyUFKNOZSEGDVEGX-UHFFFAOYSA-N
XLogP2.84
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,4-difluorophenyl)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-ethylguanidine;hydroiodide
CID 111780940
1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111965424
1-cyclopropyl-2-[2-(2,4-difluorophenoxy)ethyl]-3-ethylguanidine
CID 111548975
1-cyclopropyl-2-[2-(3,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 110988493
2-[2-(2,5-difluorophenyl)ethyl]-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111965690
1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 110989245
2-[3-(4-bromo-2-fluorophenyl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979428
2-[2-(2,4-difluorophenoxy)ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979027
1-cyclopropyl-2-[2-(2,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide
CID 111759446
1-cyclopropyl-3-ethyl-2-[3-(4-fluorophenoxy)propyl]guanidine;hydroiodide
CID 110988257
1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 110992329
2-[2-(2-chloro-4-fluorophenyl)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-ethylguanidine
CID 111827735

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-(2,4-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[2-(2,4-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide (CID 111549026) is 1-cyclopropyl-2-[2-(2,4-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[2-(2,4-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[2-(2,4-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide is CCN/C(=N\CCc1ccc(F)cc1F)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-[2-(2,4-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide?
The InChIKey is UFKNOZSEGDVEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3.HI/c1-2-17-14(19-12-5-6-12)18-8-7-10-3-4-11(15)9-13(10)16;/h3-4,9,12H,2,5-8H2,1H3,(H2,17,18,19);1H.
What are the key properties of 1-cyclopropyl-2-[2-(2,4-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide?
1-cyclopropyl-2-[2-(2,4-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide has a molecular weight of 395.24 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(2,4-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 111549026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).