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

C11H17ClIN3O — CID 110912605

IUPAC1-(3-chloro-4-methoxyphenyl)-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\N)Nc1ccc(OC)c(Cl)c1.I
InChIInChI=1S/C11H16ClN3O.HI/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);1H
InChIKeyVIQUFYIRKYQRIZ-UHFFFAOYSA-N
MW369.63 g/mol
LogP3.10
Rot. Bonds4

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

1-(3-chloro-4-methoxyphenyl)-2-propylguanidine;hydroiodide (PubChem CID 110912605) has the molecular formula C11H17ClIN3O and a molecular weight of 369.63 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-propylguanidine;hydroiodide
PubChem CID110912605
Molecular FormulaC11H17ClIN3O
Molecular Weight369.63 g/mol
Exact Mass369.01
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\N)Nc1ccc(OC)c(Cl)c1.I
InChIInChI=1S/C11H16ClN3O.HI/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);1H
InChIKeyVIQUFYIRKYQRIZ-UHFFFAOYSA-N
XLogP3.10
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.63
LogP ≤ 53.10
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(3-chloro-4-methoxyphenyl)-2-propylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-propylguanidine
CID 62379415
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
2-(2-tert-butylsulfonylethyl)-1-(3-chloro-4-methoxyphenyl)guanidine;hydroiodide
CID 111812177
1-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propyl]guanidine;hydroiodide
CID 111075928
1-(3-chloro-4-methoxyphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111046562
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-propylguanidine;hydroiodide?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-propylguanidine;hydroiodide (CID 110912605) is 1-(3-chloro-4-methoxyphenyl)-2-propylguanidine;hydroiodide.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-propylguanidine;hydroiodide?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-propylguanidine;hydroiodide is CCC/N=C(\N)Nc1ccc(OC)c(Cl)c1.I.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-propylguanidine;hydroiodide?
The InChIKey is VIQUFYIRKYQRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O.HI/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);1H.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-propylguanidine;hydroiodide?
1-(3-chloro-4-methoxyphenyl)-2-propylguanidine;hydroiodide has a molecular weight of 369.63 g/mol, XLogP of 3.10, 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;hydroiodide is sourced from PubChem (CID 110912605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).