2-[2-hydroxy-3-(4-iodophenoxy)propyl]-1-(3-methylbutyl)guanidine

C15H24IN3O2 — CID 111097317

IUPAC2-[2-hydroxy-3-(4-iodophenoxy)propyl]-1-(3-methylbutyl)guanidine
SMILESCC(C)CCN/C(N)=N/CC(O)COc1ccc(I)cc1
InChIInChI=1S/C15H24IN3O2/c1-11(2)7-8-18-15(17)19-9-13(20)10-21-14-5-3-12(16)4-6-14/h3-6,11,13,20H,7-10H2,1-2H3,(H3,17,18,19)
InChIKeyNYOQZPDLHXEZIM-UHFFFAOYSA-N
MW405.28 g/mol
LogP1.98
Rot. Bonds8

About 2-[2-hydroxy-3-(4-iodophenoxy)propyl]-1-(3-methylbutyl)guanidine

2-[2-hydroxy-3-(4-iodophenoxy)propyl]-1-(3-methylbutyl)guanidine (PubChem CID 111097317) has the molecular formula C15H24IN3O2 and a molecular weight of 405.28 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(4-iodophenoxy)propyl]-1-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name2-[2-hydroxy-3-(4-iodophenoxy)propyl]-1-(3-methylbutyl)guanidine
PubChem CID111097317
Molecular FormulaC15H24IN3O2
Molecular Weight405.28 g/mol
Exact Mass405.09
IUPAC Name2-[2-hydroxy-3-(4-iodophenoxy)propyl]-1-(3-methylbutyl)guanidine
SMILESCC(C)CCN/C(N)=N/CC(O)COc1ccc(I)cc1
InChIInChI=1S/C15H24IN3O2/c1-11(2)7-8-18-15(17)19-9-13(20)10-21-14-5-3-12(16)4-6-14/h3-6,11,13,20H,7-10H2,1-2H3,(H3,17,18,19)
InChIKeyNYOQZPDLHXEZIM-UHFFFAOYSA-N
XLogP1.98
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 51.98
H-Bond Donors ≤ 53
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

2-[2-hydroxy-3-(4-iodophenoxy)propyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111097334
1-(4-ethylphenyl)-2-[2-hydroxy-3-(4-iodophenoxy)propyl]guanidine;hydroiodide
CID 111097338
1-ethyl-2-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-propylguanidine
CID 111226993
2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111099775
1-ethyl-2-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-(3-methoxypropyl)guanidine;hydroiodide
CID 110975748
1-cyclopropyl-3-ethyl-2-[2-hydroxy-3-(4-iodophenoxy)propyl]guanidine;hydroiodide
CID 110988978
N'-[2-hydroxy-3-(4-iodophenoxy)propyl]morpholine-4-carboximidamide
CID 111097323
1-(4-iodophenoxy)propan-2-ol
CID 65277775
2-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111067385
1-(cyclobutylmethyl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine
CID 111082633
1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol
CID 62269697
1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030275

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(4-iodophenoxy)propyl]-1-(3-methylbutyl)guanidine?
The IUPAC name of 2-[2-hydroxy-3-(4-iodophenoxy)propyl]-1-(3-methylbutyl)guanidine (CID 111097317) is 2-[2-hydroxy-3-(4-iodophenoxy)propyl]-1-(3-methylbutyl)guanidine.
What is the SMILES notation for 2-[2-hydroxy-3-(4-iodophenoxy)propyl]-1-(3-methylbutyl)guanidine?
The canonical SMILES for 2-[2-hydroxy-3-(4-iodophenoxy)propyl]-1-(3-methylbutyl)guanidine is CC(C)CCN/C(N)=N/CC(O)COc1ccc(I)cc1.
What is the InChIKey of 2-[2-hydroxy-3-(4-iodophenoxy)propyl]-1-(3-methylbutyl)guanidine?
The InChIKey is NYOQZPDLHXEZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN3O2/c1-11(2)7-8-18-15(17)19-9-13(20)10-21-14-5-3-12(16)4-6-14/h3-6,11,13,20H,7-10H2,1-2H3,(H3,17,18,19).
What are the key properties of 2-[2-hydroxy-3-(4-iodophenoxy)propyl]-1-(3-methylbutyl)guanidine?
2-[2-hydroxy-3-(4-iodophenoxy)propyl]-1-(3-methylbutyl)guanidine has a molecular weight of 405.28 g/mol, XLogP of 1.98, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(4-iodophenoxy)propyl]-1-(3-methylbutyl)guanidine is sourced from PubChem (CID 111097317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).