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

C16H17F2N3O — CID 111090275

IUPAC2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
SMILESCOc1ccccc1N/C(N)=N/CCc1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2N3O/c1-22-15-5-3-2-4-14(15)21-16(19)20-7-6-11-8-12(17)10-13(18)9-11/h2-5,8-10H,6-7H2,1H3,(H3,19,20,21)
InChIKeyBOVFFOKBBKCVBK-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.94
Rot. Bonds5

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

2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine (PubChem CID 111090275) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
PubChem CID111090275
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
SMILESCOc1ccccc1N/C(N)=N/CCc1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2N3O/c1-22-15-5-3-2-4-14(15)21-16(19)20-7-6-11-8-12(17)10-13(18)9-11/h2-5,8-10H,6-7H2,1H3,(H3,19,20,21)
InChIKeyBOVFFOKBBKCVBK-UHFFFAOYSA-N
XLogP2.94
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.94
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

2-[2-(2,4-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111801626
1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111024071
1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111077718
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
2-[2-(3,5-difluorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine
CID 111090273
1-(2-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111072146
2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111100183
1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine
CID 111030682
2-[3-(4-hydroxyphenyl)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111816087
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(2-methoxyphenyl)guanidine
CID 111061989
2-[2-(4-fluorophenoxy)propyl]-1-(2-methoxyphenyl)guanidine
CID 111820314
2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111023855

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine?
The IUPAC name of 2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine (CID 111090275) is 2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine?
The canonical SMILES for 2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine is COc1ccccc1N/C(N)=N/CCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine?
The InChIKey is BOVFFOKBBKCVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c1-22-15-5-3-2-4-14(15)21-16(19)20-7-6-11-8-12(17)10-13(18)9-11/h2-5,8-10H,6-7H2,1H3,(H3,19,20,21).
What are the key properties of 2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine?
2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine has a molecular weight of 305.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine is sourced from PubChem (CID 111090275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).