1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide

C19H26IN3O2 — CID 111082128

IUPAC1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide
SMILESCOc1ccccc1N/C(N)=N/Cc1cccc(OCC(C)C)c1.I
InChIInChI=1S/C19H25N3O2.HI/c1-14(2)13-24-16-8-6-7-15(11-16)12-21-19(20)22-17-9-4-5-10-18(17)23-3;/h4-11,14H,12-13H2,1-3H3,(H3,20,21,22);1H
InChIKeyVVHVZWZBKWZMQQ-UHFFFAOYSA-N
MW455.34 g/mol
LogP4.27
Rot. Bonds7

About 1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide

1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide (PubChem CID 111082128) has the molecular formula C19H26IN3O2 and a molecular weight of 455.34 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide
PubChem CID111082128
Molecular FormulaC19H26IN3O2
Molecular Weight455.34 g/mol
Exact Mass455.11
IUPAC Name1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide
SMILESCOc1ccccc1N/C(N)=N/Cc1cccc(OCC(C)C)c1.I
InChIInChI=1S/C19H25N3O2.HI/c1-14(2)13-24-16-8-6-7-15(11-16)12-21-19(20)22-17-9-4-5-10-18(17)23-3;/h4-11,14H,12-13H2,1-3H3,(H3,20,21,22);1H
InChIKeyVVHVZWZBKWZMQQ-UHFFFAOYSA-N
XLogP4.27
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.34
LogP ≤ 54.27
H-Bond Donors ≤ 52
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

1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine
CID 111082129
2-[3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]phenoxy]-N-ethylacetamide;hydroiodide
CID 111074576
2-[[3-(2,2-difluoroethoxy)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111097988
2-[3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 111047762
2-[[3-(2-methylpropoxy)phenyl]methyl]-1-propylguanidine;hydroiodide
CID 111082142
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111809135
1-cyclopropyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide
CID 110918465
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111809136
3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]-N-methylbenzamide
CID 111058777
1-(2-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111031973
1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111077718
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111034020

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide (CID 111082128) is 1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide is COc1ccccc1N/C(N)=N/Cc1cccc(OCC(C)C)c1.I.
What is the InChIKey of 1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide?
The InChIKey is VVHVZWZBKWZMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.HI/c1-14(2)13-24-16-8-6-7-15(11-16)12-21-19(20)22-17-9-4-5-10-18(17)23-3;/h4-11,14H,12-13H2,1-3H3,(H3,20,21,22);1H.
What are the key properties of 1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide?
1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide has a molecular weight of 455.34 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111082128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).