2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-propylguanidine;hydroiodide

C14H24IN3O — CID 111226233

IUPAC2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCCOc1ccccc1C.I
InChIInChI=1S/C14H23N3O.HI/c1-4-9-16-14(15-3)17-10-11-18-13-8-6-5-7-12(13)2;/h5-8H,4,9-11H2,1-3H3,(H2,15,16,17);1H
InChIKeyPZTQLPRYJSTGTM-UHFFFAOYSA-N
MW377.27 g/mol
LogP2.57
Rot. Bonds6

About 2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-propylguanidine;hydroiodide

2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-propylguanidine;hydroiodide (PubChem CID 111226233) has the molecular formula C14H24IN3O and a molecular weight of 377.27 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-propylguanidine;hydroiodide
PubChem CID111226233
Molecular FormulaC14H24IN3O
Molecular Weight377.27 g/mol
Exact Mass377.10
IUPAC Name2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCCOc1ccccc1C.I
InChIInChI=1S/C14H23N3O.HI/c1-4-9-16-14(15-3)17-10-11-18-13-8-6-5-7-12(13)2;/h5-8H,4,9-11H2,1-3H3,(H2,15,16,17);1H
InChIKeyPZTQLPRYJSTGTM-UHFFFAOYSA-N
XLogP2.57
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-benzyl-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide
CID 110954917
1-(3-ethoxypropyl)-2-methyl-3-[3-(2-methylphenoxy)propyl]guanidine;hydroiodide
CID 111782631
1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111265180
2-methyl-1-(3-methylbutan-2-yl)-3-[2-(2-methylphenoxy)ethyl]guanidine
CID 111002879
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine
CID 111605309
2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111192140
1-butan-2-yl-2-methyl-3-[3-(2-methylphenoxy)propyl]guanidine;hydroiodide
CID 111545412
2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111415217
1-[2-(2,4-difluorophenoxy)ethyl]-2-methyl-3-propylguanidine
CID 111782778
1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine
CID 111235415
2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine;hydroiodide
CID 111613160
2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111951618

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-propylguanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-propylguanidine;hydroiodide (CID 111226233) is 2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-propylguanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-propylguanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-propylguanidine;hydroiodide is CCCN/C(=N\C)NCCOc1ccccc1C.I.
What is the InChIKey of 2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-propylguanidine;hydroiodide?
The InChIKey is PZTQLPRYJSTGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.HI/c1-4-9-16-14(15-3)17-10-11-18-13-8-6-5-7-12(13)2;/h5-8H,4,9-11H2,1-3H3,(H2,15,16,17);1H.
What are the key properties of 2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-propylguanidine;hydroiodide?
2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-propylguanidine;hydroiodide has a molecular weight of 377.27 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-propylguanidine;hydroiodide is sourced from PubChem (CID 111226233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).