2-[2-(2-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine;hydroiodide

C18H24IN3O — CID 111097644

IUPAC2-[2-(2-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine;hydroiodide
SMILESCOc1ccccc1C(C)C/N=C(\N)Nc1ccc(C)cc1.I
InChIInChI=1S/C18H23N3O.HI/c1-13-8-10-15(11-9-13)21-18(19)20-12-14(2)16-6-4-5-7-17(16)22-3;/h4-11,14H,12H2,1-3H3,(H3,19,20,21);1H
InChIKeyAOIWPYWXMISMRR-UHFFFAOYSA-N
MW425.31 g/mol
LogP4.15
Rot. Bonds5

About 2-[2-(2-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine;hydroiodide

2-[2-(2-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine;hydroiodide (PubChem CID 111097644) has the molecular formula C18H24IN3O and a molecular weight of 425.31 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine;hydroiodide
PubChem CID111097644
Molecular FormulaC18H24IN3O
Molecular Weight425.31 g/mol
Exact Mass425.10
IUPAC Name2-[2-(2-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine;hydroiodide
SMILESCOc1ccccc1C(C)C/N=C(\N)Nc1ccc(C)cc1.I
InChIInChI=1S/C18H23N3O.HI/c1-13-8-10-15(11-9-13)21-18(19)20-12-14(2)16-6-4-5-7-17(16)22-3;/h4-11,14H,12H2,1-3H3,(H3,19,20,21);1H
InChIKeyAOIWPYWXMISMRR-UHFFFAOYSA-N
XLogP4.15
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 54.15
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-(3,5-dimethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine
CID 111097631
1-(3-ethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine;hydroiodide
CID 111097654
2-(2-methoxy-2-phenylethyl)-1-(4-methylphenyl)guanidine;hydroiodide
CID 111043587
1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine
CID 111097623
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111028906
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]guanidine
CID 111028912
1-(4-methoxyphenyl)-2-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111028961
1-(4-methylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111758160
2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111100207
2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine
CID 111757688
2-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(4-methoxyphenyl)guanidine
CID 111067384
1-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)propyl]guanidine
CID 111820760

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(2-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine;hydroiodide (CID 111097644) is 2-[2-(2-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(2-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine;hydroiodide is COc1ccccc1C(C)C/N=C(\N)Nc1ccc(C)cc1.I.
What is the InChIKey of 2-[2-(2-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine;hydroiodide?
The InChIKey is AOIWPYWXMISMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.HI/c1-13-8-10-15(11-9-13)21-18(19)20-12-14(2)16-6-4-5-7-17(16)22-3;/h4-11,14H,12H2,1-3H3,(H3,19,20,21);1H.
What are the key properties of 2-[2-(2-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine;hydroiodide?
2-[2-(2-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine;hydroiodide has a molecular weight of 425.31 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111097644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).