1-[2-(4-methoxyphenoxy)propyl]-2,3-dimethylguanidine;hydroiodide

C13H22IN3O2 — CID 111465658

IUPAC1-[2-(4-methoxyphenoxy)propyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCC(C)Oc1ccc(OC)cc1.I
InChIInChI=1S/C13H21N3O2.HI/c1-10(9-16-13(14-2)15-3)18-12-7-5-11(17-4)6-8-12;/h5-8,10H,9H2,1-4H3,(H2,14,15,16);1H
InChIKeyDNQCVFXJYUETAS-UHFFFAOYSA-N
MW379.24 g/mol
LogP1.88
Rot. Bonds5

About 1-[2-(4-methoxyphenoxy)propyl]-2,3-dimethylguanidine;hydroiodide

1-[2-(4-methoxyphenoxy)propyl]-2,3-dimethylguanidine;hydroiodide (PubChem CID 111465658) has the molecular formula C13H22IN3O2 and a molecular weight of 379.24 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)propyl]-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)propyl]-2,3-dimethylguanidine;hydroiodide
PubChem CID111465658
Molecular FormulaC13H22IN3O2
Molecular Weight379.24 g/mol
Exact Mass379.08
IUPAC Name1-[2-(4-methoxyphenoxy)propyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCC(C)Oc1ccc(OC)cc1.I
InChIInChI=1S/C13H21N3O2.HI/c1-10(9-16-13(14-2)15-3)18-12-7-5-11(17-4)6-8-12;/h5-8,10H,9H2,1-4H3,(H2,14,15,16);1H
InChIKeyDNQCVFXJYUETAS-UHFFFAOYSA-N
XLogP1.88
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 51.88
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-3-[2-(4-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111545198
1-(2-methoxyethyl)-3-[2-(4-methoxyphenoxy)propyl]-2-methylguanidine
CID 111544681
1-[2-(4-methoxyphenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 110913986
1-[2-(4-chlorophenoxy)propyl]-3-ethyl-2-methylguanidine
CID 111680298
1-[2-(2-methoxyethoxy)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111679931
1-tert-butyl-2-methyl-3-(2-phenoxypropyl)guanidine;hydroiodide
CID 111547220
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 111494985
1-[2-(4-methoxyphenoxy)propyl]-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111787828
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 75494544
1-[2-(4-chlorophenoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111513063
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[2-(4-methylphenoxy)propyl]guanidine
CID 111788293
1-[2-(3-methoxyphenoxy)propyl]-3-[2-(3-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111678891

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)propyl]-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-[2-(4-methoxyphenoxy)propyl]-2,3-dimethylguanidine;hydroiodide (CID 111465658) is 1-[2-(4-methoxyphenoxy)propyl]-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)propyl]-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)propyl]-2,3-dimethylguanidine;hydroiodide is C/N=C(\NC)NCC(C)Oc1ccc(OC)cc1.I.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)propyl]-2,3-dimethylguanidine;hydroiodide?
The InChIKey is DNQCVFXJYUETAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2.HI/c1-10(9-16-13(14-2)15-3)18-12-7-5-11(17-4)6-8-12;/h5-8,10H,9H2,1-4H3,(H2,14,15,16);1H.
What are the key properties of 1-[2-(4-methoxyphenoxy)propyl]-2,3-dimethylguanidine;hydroiodide?
1-[2-(4-methoxyphenoxy)propyl]-2,3-dimethylguanidine;hydroiodide has a molecular weight of 379.24 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)propyl]-2,3-dimethylguanidine;hydroiodide is sourced from PubChem (CID 111465658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).