1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide

C13H20IN3O — CID 75418892

IUPAC1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
SMILESCOc1ccc(CC/N=C(\N)NC2CC2)cc1.I
InChIInChI=1S/C13H19N3O.HI/c1-17-12-6-2-10(3-7-12)8-9-15-13(14)16-11-4-5-11;/h2-3,6-7,11H,4-5,8-9H2,1H3,(H3,14,15,16);1H
InChIKeyFFBAIBZARZIGRM-UHFFFAOYSA-N
MW361.23 g/mol
LogP1.92
Rot. Bonds5

About 1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide

1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide (PubChem CID 75418892) has the molecular formula C13H20IN3O and a molecular weight of 361.23 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
PubChem CID75418892
Molecular FormulaC13H20IN3O
Molecular Weight361.23 g/mol
Exact Mass361.07
IUPAC Name1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
SMILESCOc1ccc(CC/N=C(\N)NC2CC2)cc1.I
InChIInChI=1S/C13H19N3O.HI/c1-17-12-6-2-10(3-7-12)8-9-15-13(14)16-11-4-5-11;/h2-3,6-7,11H,4-5,8-9H2,1H3,(H3,14,15,16);1H
InChIKeyFFBAIBZARZIGRM-UHFFFAOYSA-N
XLogP1.92
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 51.92
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-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 55063965
1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111422983
2-[2-(4-methoxyphenyl)ethyl]-1-[(1R,2S)-2-methylcyclopropyl]guanidine
CID 98435856
1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
CID 111099385
1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine
CID 111099386
2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide
CID 111075242
ethyl 4-[[N'-[2-(4-methylphenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111814089
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111024071
2-[2-(4-methoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111024107
ethyl 4-[[N'-[2-(4-fluorophenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111025544
2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111089118

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide (CID 75418892) is 1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide is COc1ccc(CC/N=C(\N)NC2CC2)cc1.I.
What is the InChIKey of 1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide?
The InChIKey is FFBAIBZARZIGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.HI/c1-17-12-6-2-10(3-7-12)8-9-15-13(14)16-11-4-5-11;/h2-3,6-7,11H,4-5,8-9H2,1H3,(H3,14,15,16);1H.
What are the key properties of 1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide?
1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide has a molecular weight of 361.23 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 75418892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).