1-(3-chloro-4-methoxyphenyl)-2-propylguanidine

C11H16ClN3O — CID 62379415

IUPAC1-(3-chloro-4-methoxyphenyl)-2-propylguanidine
SMILESCCC/N=C(\N)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C11H16ClN3O/c1-3-6-14-11(13)15-8-4-5-10(16-2)9(12)7-8/h4-5,7H,3,6H2,1-2H3,(H3,13,14,15)
InChIKeyFYYVJIFPXDMSSW-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.49
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-2-propylguanidine

1-(3-chloro-4-methoxyphenyl)-2-propylguanidine (PubChem CID 62379415) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-propylguanidine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-propylguanidine
PubChem CID62379415
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-propylguanidine
SMILESCCC/N=C(\N)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C11H16ClN3O/c1-3-6-14-11(13)15-8-4-5-10(16-2)9(12)7-8/h4-5,7H,3,6H2,1-2H3,(H3,13,14,15)
InChIKeyFYYVJIFPXDMSSW-UHFFFAOYSA-N
XLogP2.49
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.49
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-(3-chloro-4-methoxyphenyl)-2-propylguanidine;hydroiodide
CID 110912605
2-butyl-1-(3-chloro-4-methoxyphenyl)guanidine;hydroiodide
CID 111023202
1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine
CID 62379243
2-[2-(2-butoxyethoxy)ethyl]-1-(3-chloro-4-methoxyphenyl)guanidine;hydroiodide
CID 111821820
1-(3-chloro-4-methoxyphenyl)-2-(2-phenylethyl)guanidine
CID 111022915
1-(3-chloro-4-methoxyphenyl)-2-(2-cyclopropylethyl)guanidine
CID 119147887
1-(3-chloro-4-methoxyphenyl)-2-[3-[ethylsulfonyl(methyl)amino]propyl]guanidine
CID 111066425
1-(3-chloro-4-methoxyphenyl)-2-(3-propan-2-yloxypropyl)guanidine
CID 111026154
1-(3-chloro-4-methoxyphenyl)-2-(2-phenylsulfanylethyl)guanidine
CID 111033100
2-(2-tert-butylsulfonylethyl)-1-(3-chloro-4-methoxyphenyl)guanidine;hydroiodide
CID 111812177
1-(3-chloro-4-methoxyphenyl)-2-[2-(5-iodothiophen-2-yl)ethyl]guanidine
CID 111098751
1-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propyl]guanidine;hydroiodide
CID 111075928

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-propylguanidine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-propylguanidine (CID 62379415) is 1-(3-chloro-4-methoxyphenyl)-2-propylguanidine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-propylguanidine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-propylguanidine is CCC/N=C(\N)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-propylguanidine?
The InChIKey is FYYVJIFPXDMSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-3-6-14-11(13)15-8-4-5-10(16-2)9(12)7-8/h4-5,7H,3,6H2,1-2H3,(H3,13,14,15).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-propylguanidine?
1-(3-chloro-4-methoxyphenyl)-2-propylguanidine has a molecular weight of 241.72 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-propylguanidine is sourced from PubChem (CID 62379415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).