2-[2-(2-bromophenoxy)propyl]-1-(2-methoxyphenyl)guanidine

C17H20BrN3O2 — CID 111752766

IUPAC2-[2-(2-bromophenoxy)propyl]-1-(2-methoxyphenyl)guanidine
SMILESCOc1ccccc1N/C(N)=N/CC(C)Oc1ccccc1Br
InChIInChI=1S/C17H20BrN3O2/c1-12(23-15-9-5-3-7-13(15)18)11-20-17(19)21-14-8-4-6-10-16(14)22-2/h3-10,12H,11H2,1-2H3,(H3,19,20,21)
InChIKeyYTFBQNWKSDLZHC-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.65
Rot. Bonds6

About 2-[2-(2-bromophenoxy)propyl]-1-(2-methoxyphenyl)guanidine

2-[2-(2-bromophenoxy)propyl]-1-(2-methoxyphenyl)guanidine (PubChem CID 111752766) has the molecular formula C17H20BrN3O2 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-[2-(2-bromophenoxy)propyl]-1-(2-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[2-(2-bromophenoxy)propyl]-1-(2-methoxyphenyl)guanidine
PubChem CID111752766
Molecular FormulaC17H20BrN3O2
Molecular Weight378.27 g/mol
Exact Mass377.07
IUPAC Name2-[2-(2-bromophenoxy)propyl]-1-(2-methoxyphenyl)guanidine
SMILESCOc1ccccc1N/C(N)=N/CC(C)Oc1ccccc1Br
InChIInChI=1S/C17H20BrN3O2/c1-12(23-15-9-5-3-7-13(15)18)11-20-17(19)21-14-8-4-6-10-16(14)22-2/h3-10,12H,11H2,1-2H3,(H3,19,20,21)
InChIKeyYTFBQNWKSDLZHC-UHFFFAOYSA-N
XLogP3.65
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-fluorophenoxy)propyl]-1-(2-methoxyphenyl)guanidine
CID 111820314
2-[2-(2-bromophenoxy)propyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111752735
2-[2-(2-bromophenoxy)propyl]-1-butan-2-ylguanidine;hydroiodide
CID 111752789
2-[2-(4-bromophenyl)sulfanylpropyl]-1-(2-methoxyphenyl)guanidine
CID 111809596
2-[2-(2-chlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111821474
1-(2-methoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine
CID 111820248
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
1-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)propyl]guanidine
CID 111820760
2-[2-(2-fluorophenoxy)butyl]-1-(2-methoxyphenyl)guanidine
CID 111752680
2-(2-ethylhexyl)-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111022489
2-[2-(2-methoxyphenoxy)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111820568
1-(2-methoxyphenyl)-2-prop-2-ynylguanidine
CID 111031544

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenoxy)propyl]-1-(2-methoxyphenyl)guanidine?
The IUPAC name of 2-[2-(2-bromophenoxy)propyl]-1-(2-methoxyphenyl)guanidine (CID 111752766) is 2-[2-(2-bromophenoxy)propyl]-1-(2-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[2-(2-bromophenoxy)propyl]-1-(2-methoxyphenyl)guanidine?
The canonical SMILES for 2-[2-(2-bromophenoxy)propyl]-1-(2-methoxyphenyl)guanidine is COc1ccccc1N/C(N)=N/CC(C)Oc1ccccc1Br.
What is the InChIKey of 2-[2-(2-bromophenoxy)propyl]-1-(2-methoxyphenyl)guanidine?
The InChIKey is YTFBQNWKSDLZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O2/c1-12(23-15-9-5-3-7-13(15)18)11-20-17(19)21-14-8-4-6-10-16(14)22-2/h3-10,12H,11H2,1-2H3,(H3,19,20,21).
What are the key properties of 2-[2-(2-bromophenoxy)propyl]-1-(2-methoxyphenyl)guanidine?
2-[2-(2-bromophenoxy)propyl]-1-(2-methoxyphenyl)guanidine has a molecular weight of 378.27 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenoxy)propyl]-1-(2-methoxyphenyl)guanidine is sourced from PubChem (CID 111752766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).