2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine

C17H19F2N3 — CID 111090301

IUPAC2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine
SMILESCCc1ccc(N/C(N)=N/CCc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H19F2N3/c1-2-12-3-5-16(6-4-12)22-17(20)21-8-7-13-9-14(18)11-15(19)10-13/h3-6,9-11H,2,7-8H2,1H3,(H3,20,21,22)
InChIKeyMUFSLFQCQDATME-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.50
Rot. Bonds5

About 2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine

2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine (PubChem CID 111090301) has the molecular formula C17H19F2N3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine
PubChem CID111090301
Molecular FormulaC17H19F2N3
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine
SMILESCCc1ccc(N/C(N)=N/CCc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H19F2N3/c1-2-12-3-5-16(6-4-12)22-17(20)21-8-7-13-9-14(18)11-15(19)10-13/h3-6,9-11H,2,7-8H2,1H3,(H3,20,21,22)
InChIKeyMUFSLFQCQDATME-UHFFFAOYSA-N
XLogP3.50
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.50
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-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 111035398
1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine
CID 111089911
2-[2-(3,5-difluorophenyl)ethyl]-1-ethylguanidine
CID 62616143
2-[(3-bromo-5-fluorophenyl)methyl]-1-(4-ethylphenyl)guanidine
CID 111076957
2-[2-(3,5-difluorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine
CID 111090273
1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine
CID 111811890
1-(3,5-difluorophenyl)-2-propylguanidine
CID 62378719
1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]guanidine
CID 111058064
2-[2-(4-fluorophenyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111025535
1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111058063
1-(4-ethylphenyl)-2-[2-(furan-2-yl)ethyl]guanidine
CID 111031068

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine?
The IUPAC name of 2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine (CID 111090301) is 2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine.
What is the SMILES notation for 2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine?
The canonical SMILES for 2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine is CCc1ccc(N/C(N)=N/CCc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine?
The InChIKey is MUFSLFQCQDATME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3/c1-2-12-3-5-16(6-4-12)22-17(20)21-8-7-13-9-14(18)11-15(19)10-13/h3-6,9-11H,2,7-8H2,1H3,(H3,20,21,22).
What are the key properties of 2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine?
2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine has a molecular weight of 303.36 g/mol, XLogP of 3.50, 5 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-(4-ethylphenyl)guanidine is sourced from PubChem (CID 111090301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).