2-[2-(2-chlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine

C18H22ClN3O3 — CID 111821474

IUPAC2-[2-(2-chlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/CC(C)Oc2ccccc2Cl)c1
InChIInChI=1S/C18H22ClN3O3/c1-12(25-16-7-5-4-6-14(16)19)11-21-18(20)22-15-10-13(23-2)8-9-17(15)24-3/h4-10,12H,11H2,1-3H3,(H3,20,21,22)
InChIKeyZAKQOPMXILYQRZ-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.55
Rot. Bonds7

About 2-[2-(2-chlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine

2-[2-(2-chlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine (PubChem CID 111821474) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 2-[2-(2-chlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[2-(2-chlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine
PubChem CID111821474
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name2-[2-(2-chlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/CC(C)Oc2ccccc2Cl)c1
InChIInChI=1S/C18H22ClN3O3/c1-12(25-16-7-5-4-6-14(16)19)11-21-18(20)22-15-10-13(23-2)8-9-17(15)24-3/h4-10,12H,11H2,1-3H3,(H3,20,21,22)
InChIKeyZAKQOPMXILYQRZ-UHFFFAOYSA-N
XLogP3.55
TPSA78.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chlorophenoxy)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111821479
2-[2-(4-fluorophenoxy)propyl]-1-(2-methoxyphenyl)guanidine
CID 111820314
1-tert-butyl-2-[2-(2-chlorophenoxy)propyl]guanidine
CID 111821492
1-(2,5-dimethoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111820249
2-[2-(2-bromophenoxy)propyl]-1-(2-methoxyphenyl)guanidine
CID 111752766
1-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)propyl]guanidine
CID 111820760
1-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]guanidine
CID 111058072
1-(2,5-dimethoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine
CID 111811230
2-[2-(azepan-1-yl)-3-methylbutyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111042316
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111067352
1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine
CID 111801526
1-(2,5-dimethoxyphenyl)-2-(4-methylpentyl)guanidine;hydroiodide
CID 111054914

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine?
The IUPAC name of 2-[2-(2-chlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine (CID 111821474) is 2-[2-(2-chlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine.
What is the SMILES notation for 2-[2-(2-chlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine?
The canonical SMILES for 2-[2-(2-chlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine is COc1ccc(OC)c(N/C(N)=N/CC(C)Oc2ccccc2Cl)c1.
What is the InChIKey of 2-[2-(2-chlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine?
The InChIKey is ZAKQOPMXILYQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-12(25-16-7-5-4-6-14(16)19)11-21-18(20)22-15-10-13(23-2)8-9-17(15)24-3/h4-10,12H,11H2,1-3H3,(H3,20,21,22).
What are the key properties of 2-[2-(2-chlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine?
2-[2-(2-chlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine has a molecular weight of 363.85 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine is sourced from PubChem (CID 111821474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).