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

C22H24IN3O2 — CID 111075946

IUPAC1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/Cc2cccc(COc3ccccc3)c2)c1.I
InChIInChI=1S/C22H23N3O2.HI/c1-26-21-12-6-9-19(14-21)25-22(23)24-15-17-7-5-8-18(13-17)16-27-20-10-3-2-4-11-20;/h2-14H,15-16H2,1H3,(H3,23,24,25);1H
InChIKeyWFWWESKXGJQKMP-UHFFFAOYSA-N
MW489.36 g/mol
LogP4.82
Rot. Bonds7

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

1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide (PubChem CID 111075946) has the molecular formula C22H24IN3O2 and a molecular weight of 489.36 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide
PubChem CID111075946
Molecular FormulaC22H24IN3O2
Molecular Weight489.36 g/mol
Exact Mass489.09
IUPAC Name1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/Cc2cccc(COc3ccccc3)c2)c1.I
InChIInChI=1S/C22H23N3O2.HI/c1-26-21-12-6-9-19(14-21)25-22(23)24-15-17-7-5-8-18(13-17)16-27-20-10-3-2-4-11-20;/h2-14H,15-16H2,1H3,(H3,23,24,25);1H
InChIKeyWFWWESKXGJQKMP-UHFFFAOYSA-N
XLogP4.82
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.36
LogP ≤ 54.82
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-(3-methoxyphenyl)-2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053736
2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111053993
1-(3-methoxyphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]guanidine;hydroiodide
CID 111032679
1-(3-methoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111050435
1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111063263
benzyl 3-[[[amino-(3-methoxyanilino)methylidene]amino]methyl]benzoate;hydroiodide
CID 111099727
2-[[2-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111053898
1-(3-methoxyphenyl)-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 111048024
2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111051036
2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597475
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111809159
2-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)guanidine
CID 111025676

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide (CID 111075946) is 1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide is COc1cccc(N/C(N)=N/Cc2cccc(COc3ccccc3)c2)c1.I.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide?
The InChIKey is WFWWESKXGJQKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2.HI/c1-26-21-12-6-9-19(14-21)25-22(23)24-15-17-7-5-8-18(13-17)16-27-20-10-3-2-4-11-20;/h2-14H,15-16H2,1H3,(H3,23,24,25);1H.
What are the key properties of 1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide?
1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide has a molecular weight of 489.36 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111075946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).