2-[(2,6-difluorophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine

C17H20F2N4 — CID 75496465

IUPAC2-[(2,6-difluorophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\Cc1c(F)cccc1F)NCCc1ccccn1
InChIInChI=1S/C17H20F2N4/c1-2-20-17(22-11-9-13-6-3-4-10-21-13)23-12-14-15(18)7-5-8-16(14)19/h3-8,10H,2,9,11-12H2,1H3,(H2,20,22,23)
InChIKeyZJNYMCPWQGGTGA-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.66
Rot. Bonds6

About 2-[(2,6-difluorophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine

2-[(2,6-difluorophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine (PubChem CID 75496465) has the molecular formula C17H20F2N4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine
PubChem CID75496465
Molecular FormulaC17H20F2N4
Molecular Weight318.37 g/mol
Exact Mass318.17
IUPAC Name2-[(2,6-difluorophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\Cc1c(F)cccc1F)NCCc1ccccn1
InChIInChI=1S/C17H20F2N4/c1-2-20-17(22-11-9-13-6-3-4-10-21-13)23-12-14-15(18)7-5-8-16(14)19/h3-8,10H,2,9,11-12H2,1H3,(H2,20,22,23)
InChIKeyZJNYMCPWQGGTGA-UHFFFAOYSA-N
XLogP2.66
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-fluorophenyl)methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111193324
1-ethyl-2-[(3-fluoro-4-methylphenyl)methyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111191443
1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
1-ethyl-2-[(2-ethylphenyl)methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111636107
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111194200
1-ethyl-2-[(4-methylsulfanylphenyl)methyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111191603
2-[(3-bromophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111192390
2-[(3-bromo-5-fluorophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111193947
1-ethyl-3-(2-pyridin-2-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111782039
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111191566
1-[2-(2,5-difluorophenyl)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 111965389
2-[(4-cyano-2-fluorophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111762470

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine (CID 75496465) is 2-[(2,6-difluorophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine is CCN/C(=N\Cc1c(F)cccc1F)NCCc1ccccn1.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is ZJNYMCPWQGGTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4/c1-2-20-17(22-11-9-13-6-3-4-10-21-13)23-12-14-15(18)7-5-8-16(14)19/h3-8,10H,2,9,11-12H2,1H3,(H2,20,22,23).
What are the key properties of 2-[(2,6-difluorophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine?
2-[(2,6-difluorophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 318.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 75496465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).