2-[2-(3,5-difluorophenyl)ethyl]-1-ethylguanidine

C11H15F2N3 — CID 62616143

IUPAC2-[2-(3,5-difluorophenyl)ethyl]-1-ethylguanidine
SMILESCCN/C(N)=N/CCc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2N3/c1-2-15-11(14)16-4-3-8-5-9(12)7-10(13)6-8/h5-7H,2-4H2,1H3,(H3,14,15,16)
InChIKeyNMNQTNVSJALNMK-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.43
Rot. Bonds4

About 2-[2-(3,5-difluorophenyl)ethyl]-1-ethylguanidine

2-[2-(3,5-difluorophenyl)ethyl]-1-ethylguanidine (PubChem CID 62616143) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenyl)ethyl]-1-ethylguanidine.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenyl)ethyl]-1-ethylguanidine
PubChem CID62616143
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-[2-(3,5-difluorophenyl)ethyl]-1-ethylguanidine
SMILESCCN/C(N)=N/CCc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2N3/c1-2-15-11(14)16-4-3-8-5-9(12)7-10(13)6-8/h5-7H,2-4H2,1H3,(H3,14,15,16)
InChIKeyNMNQTNVSJALNMK-UHFFFAOYSA-N
XLogP1.43
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.43
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'}

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Related Compounds

2-[2-(3,5-difluorophenyl)ethyl]-1,3-diethylguanidine
CID 110926509
2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111090301
2-[2-(3-chlorophenyl)ethyl]-1-ethylguanidine
CID 111031390
N'-[2-(3,5-difluorophenyl)ethyl]butanimidamide
CID 63172943
2-[2-(3,4-diethoxyphenyl)ethyl]-1-ethylguanidine
CID 111026082
1-cyclopropyl-2-[2-(3,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 110988493
1-[2-(3,5-difluorophenyl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110921193
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-ethylguanidine
CID 62363493
1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine
CID 62615976
2-[2-(3,5-difluorophenyl)ethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111235063
2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111090275
2-[2-(3,5-difluorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine
CID 111090273

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenyl)ethyl]-1-ethylguanidine?
The IUPAC name of 2-[2-(3,5-difluorophenyl)ethyl]-1-ethylguanidine (CID 62616143) is 2-[2-(3,5-difluorophenyl)ethyl]-1-ethylguanidine.
What is the SMILES notation for 2-[2-(3,5-difluorophenyl)ethyl]-1-ethylguanidine?
The canonical SMILES for 2-[2-(3,5-difluorophenyl)ethyl]-1-ethylguanidine is CCN/C(N)=N/CCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[2-(3,5-difluorophenyl)ethyl]-1-ethylguanidine?
The InChIKey is NMNQTNVSJALNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3/c1-2-15-11(14)16-4-3-8-5-9(12)7-10(13)6-8/h5-7H,2-4H2,1H3,(H3,14,15,16).
What are the key properties of 2-[2-(3,5-difluorophenyl)ethyl]-1-ethylguanidine?
2-[2-(3,5-difluorophenyl)ethyl]-1-ethylguanidine has a molecular weight of 227.26 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-difluorophenyl)ethyl]-1-ethylguanidine is sourced from PubChem (CID 62616143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).