1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide

C15H26IN3O2 — CID 111820551

IUPAC1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCOc1ccccc1OC(C)CN/C(N)=N/CC(C)C.I
InChIInChI=1S/C15H25N3O2.HI/c1-11(2)9-17-15(16)18-10-12(3)20-14-8-6-5-7-13(14)19-4;/h5-8,11-12H,9-10H2,1-4H3,(H3,16,17,18);1H
InChIKeyNDSQIKGDDUCYFJ-UHFFFAOYSA-N
MW407.30 g/mol
LogP2.64
Rot. Bonds7

About 1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide

1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide (PubChem CID 111820551) has the molecular formula C15H26IN3O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
PubChem CID111820551
Molecular FormulaC15H26IN3O2
Molecular Weight407.30 g/mol
Exact Mass407.11
IUPAC Name1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCOc1ccccc1OC(C)CN/C(N)=N/CC(C)C.I
InChIInChI=1S/C15H25N3O2.HI/c1-11(2)9-17-15(16)18-10-12(3)20-14-8-6-5-7-13(14)19-4;/h5-8,11-12H,9-10H2,1-4H3,(H3,16,17,18);1H
InChIKeyNDSQIKGDDUCYFJ-UHFFFAOYSA-N
XLogP2.64
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 52.64
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-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine
CID 111820552
1-[2-(2-methylphenoxy)propyl]-2-(2-methylpropyl)guanidine
CID 111820754
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111820591
1-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-(2-methylpropyl)guanidine
CID 111101733
1-hexyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111820601
1-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111028977
1-[2-(2-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 103646263
1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111682363
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 75494544
(2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804840
2-benzyl-3-[2-(2-methoxyphenoxy)propyl]-1,1-dimethylguanidine;hydroiodide
CID 111683581
3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride
CID 120501660

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide (CID 111820551) is 1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide is COc1ccccc1OC(C)CN/C(N)=N/CC(C)C.I.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The InChIKey is NDSQIKGDDUCYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.HI/c1-11(2)9-17-15(16)18-10-12(3)20-14-8-6-5-7-13(14)19-4;/h5-8,11-12H,9-10H2,1-4H3,(H3,16,17,18);1H.
What are the key properties of 1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide?
1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide has a molecular weight of 407.30 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111820551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).