2-(2-ethylhexyl)-1-(2-methoxyphenyl)guanidine;hydroiodide

C16H28IN3O — CID 111022489

IUPAC2-(2-ethylhexyl)-1-(2-methoxyphenyl)guanidine;hydroiodide
SMILESCCCCC(CC)C/N=C(\N)Nc1ccccc1OC.I
InChIInChI=1S/C16H27N3O.HI/c1-4-6-9-13(5-2)12-18-16(17)19-14-10-7-8-11-15(14)20-3;/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H3,17,18,19);1H
InChIKeyBGBHDCZALVBVFE-UHFFFAOYSA-N
MW405.32 g/mol
LogP4.26
Rot. Bonds8

About 2-(2-ethylhexyl)-1-(2-methoxyphenyl)guanidine;hydroiodide

2-(2-ethylhexyl)-1-(2-methoxyphenyl)guanidine;hydroiodide (PubChem CID 111022489) has the molecular formula C16H28IN3O and a molecular weight of 405.32 g/mol. Its IUPAC name is 2-(2-ethylhexyl)-1-(2-methoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-ethylhexyl)-1-(2-methoxyphenyl)guanidine;hydroiodide
PubChem CID111022489
Molecular FormulaC16H28IN3O
Molecular Weight405.32 g/mol
Exact Mass405.13
IUPAC Name2-(2-ethylhexyl)-1-(2-methoxyphenyl)guanidine;hydroiodide
SMILESCCCCC(CC)C/N=C(\N)Nc1ccccc1OC.I
InChIInChI=1S/C16H27N3O.HI/c1-4-6-9-13(5-2)12-18-16(17)19-14-10-7-8-11-15(14)20-3;/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H3,17,18,19);1H
InChIKeyBGBHDCZALVBVFE-UHFFFAOYSA-N
XLogP4.26
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 54.26
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
2-[2-(2-fluorophenoxy)butyl]-1-(2-methoxyphenyl)guanidine
CID 111752680
2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111023855
1-(2-methoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine
CID 111820248
1-(2-methoxyphenyl)-2-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111033043
2-[3-[di(propan-2-yl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111821758
1-(2-methoxyphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111822800
2-[2-(2-bromophenoxy)propyl]-1-(2-methoxyphenyl)guanidine
CID 111752766
1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111024071
2-[2-(4-fluorophenoxy)propyl]-1-(2-methoxyphenyl)guanidine
CID 111820314
ethyl N-[1-[[amino-(2-methoxyanilino)methylidene]amino]-4-methylpentan-2-yl]carbamate;hydroiodide
CID 111069529
1-(2-methoxyphenyl)-2-prop-2-ynylguanidine
CID 111031544

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)-1-(2-methoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-ethylhexyl)-1-(2-methoxyphenyl)guanidine;hydroiodide (CID 111022489) is 2-(2-ethylhexyl)-1-(2-methoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-ethylhexyl)-1-(2-methoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-ethylhexyl)-1-(2-methoxyphenyl)guanidine;hydroiodide is CCCCC(CC)C/N=C(\N)Nc1ccccc1OC.I.
What is the InChIKey of 2-(2-ethylhexyl)-1-(2-methoxyphenyl)guanidine;hydroiodide?
The InChIKey is BGBHDCZALVBVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O.HI/c1-4-6-9-13(5-2)12-18-16(17)19-14-10-7-8-11-15(14)20-3;/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H3,17,18,19);1H.
What are the key properties of 2-(2-ethylhexyl)-1-(2-methoxyphenyl)guanidine;hydroiodide?
2-(2-ethylhexyl)-1-(2-methoxyphenyl)guanidine;hydroiodide has a molecular weight of 405.32 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)-1-(2-methoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111022489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).