1-(2-methoxyphenyl)-2-propylguanidine

C11H17N3O — CID 62381067

IUPAC1-(2-methoxyphenyl)-2-propylguanidine
SMILESCCC/N=C(\N)Nc1ccccc1OC
InChIInChI=1S/C11H17N3O/c1-3-8-13-11(12)14-9-6-4-5-7-10(9)15-2/h4-7H,3,8H2,1-2H3,(H3,12,13,14)
InChIKeyVMSBDXJGBUTQBT-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.83
Rot. Bonds4

About 1-(2-methoxyphenyl)-2-propylguanidine

1-(2-methoxyphenyl)-2-propylguanidine (PubChem CID 62381067) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-propylguanidine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-propylguanidine
PubChem CID62381067
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(2-methoxyphenyl)-2-propylguanidine
SMILESCCC/N=C(\N)Nc1ccccc1OC
InChIInChI=1S/C11H17N3O/c1-3-8-13-11(12)14-9-6-4-5-7-10(9)15-2/h4-7H,3,8H2,1-2H3,(H3,12,13,14)
InChIKeyVMSBDXJGBUTQBT-UHFFFAOYSA-N
XLogP1.83
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.83
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-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111023855
1-(2-methoxyphenyl)-2-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111033043
1-(2-methoxyphenyl)-2-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111063389
2-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111036195
1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111024071
2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111090275
1-(2-methoxyphenyl)-2-prop-2-ynylguanidine
CID 111031544
1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine
CID 111030682
2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111100183
2-[3-[di(propan-2-yl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111821758
2-[3-(4-hydroxyphenyl)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111816087
2-[2-(benzenesulfinyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111809871

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-propylguanidine?
The IUPAC name of 1-(2-methoxyphenyl)-2-propylguanidine (CID 62381067) is 1-(2-methoxyphenyl)-2-propylguanidine.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-propylguanidine?
The canonical SMILES for 1-(2-methoxyphenyl)-2-propylguanidine is CCC/N=C(\N)Nc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-2-propylguanidine?
The InChIKey is VMSBDXJGBUTQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-8-13-11(12)14-9-6-4-5-7-10(9)15-2/h4-7H,3,8H2,1-2H3,(H3,12,13,14).
What are the key properties of 1-(2-methoxyphenyl)-2-propylguanidine?
1-(2-methoxyphenyl)-2-propylguanidine has a molecular weight of 207.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-propylguanidine is sourced from PubChem (CID 62381067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).