1-(3-methoxyphenyl)-2-[2-methyl-2-(4-methylphenyl)propyl]guanidine;hydroiodide

C19H26IN3O — CID 111101250

IUPAC1-(3-methoxyphenyl)-2-[2-methyl-2-(4-methylphenyl)propyl]guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CC(C)(C)c2ccc(C)cc2)c1.I
InChIInChI=1S/C19H25N3O.HI/c1-14-8-10-15(11-9-14)19(2,3)13-21-18(20)22-16-6-5-7-17(12-16)23-4;/h5-12H,13H2,1-4H3,(H3,20,21,22);1H
InChIKeyHNHSKZBDGUXUHF-UHFFFAOYSA-N
MW439.34 g/mol
LogP4.33
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-[2-methyl-2-(4-methylphenyl)propyl]guanidine;hydroiodide

1-(3-methoxyphenyl)-2-[2-methyl-2-(4-methylphenyl)propyl]guanidine;hydroiodide (PubChem CID 111101250) has the molecular formula C19H26IN3O and a molecular weight of 439.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[2-methyl-2-(4-methylphenyl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[2-methyl-2-(4-methylphenyl)propyl]guanidine;hydroiodide
PubChem CID111101250
Molecular FormulaC19H26IN3O
Molecular Weight439.34 g/mol
Exact Mass439.11
IUPAC Name1-(3-methoxyphenyl)-2-[2-methyl-2-(4-methylphenyl)propyl]guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CC(C)(C)c2ccc(C)cc2)c1.I
InChIInChI=1S/C19H25N3O.HI/c1-14-8-10-15(11-9-14)19(2,3)13-21-18(20)22-16-6-5-7-17(12-16)23-4;/h5-12H,13H2,1-4H3,(H3,20,21,22);1H
InChIKeyHNHSKZBDGUXUHF-UHFFFAOYSA-N
XLogP4.33
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 54.33
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

2-[2-(3-fluorophenyl)-2-methylpropyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111816381
1-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine;hydroiodide
CID 111089684
2-[2-(4-tert-butylphenoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111032367
1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine
CID 111089665
2-(4,4-dimethylpentyl)-1-(3-methoxyphenyl)guanidine
CID 111818232
1-(3,4-dimethoxyphenyl)-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111062865
1-(3-methoxyphenyl)-2-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111085938
1-(3,4-dimethoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]guanidine
CID 111805160
1-(3-methoxyphenyl)-2-pentylguanidine;hydroiodide
CID 111022589
1-(3-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 111031972
1-(3-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086732
1-tert-butyl-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine
CID 111089683

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[2-methyl-2-(4-methylphenyl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(3-methoxyphenyl)-2-[2-methyl-2-(4-methylphenyl)propyl]guanidine;hydroiodide (CID 111101250) is 1-(3-methoxyphenyl)-2-[2-methyl-2-(4-methylphenyl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[2-methyl-2-(4-methylphenyl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[2-methyl-2-(4-methylphenyl)propyl]guanidine;hydroiodide is COc1cccc(N/C(N)=N/CC(C)(C)c2ccc(C)cc2)c1.I.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[2-methyl-2-(4-methylphenyl)propyl]guanidine;hydroiodide?
The InChIKey is HNHSKZBDGUXUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.HI/c1-14-8-10-15(11-9-14)19(2,3)13-21-18(20)22-16-6-5-7-17(12-16)23-4;/h5-12H,13H2,1-4H3,(H3,20,21,22);1H.
What are the key properties of 1-(3-methoxyphenyl)-2-[2-methyl-2-(4-methylphenyl)propyl]guanidine;hydroiodide?
1-(3-methoxyphenyl)-2-[2-methyl-2-(4-methylphenyl)propyl]guanidine;hydroiodide has a molecular weight of 439.34 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[2-methyl-2-(4-methylphenyl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111101250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).