2-(2-iodophenyl)-1-(3-methoxyphenyl)guanidine

C14H14IN3O — CID 18752102

IUPAC2-(2-iodophenyl)-1-(3-methoxyphenyl)guanidine
SMILESCOc1cccc(N/C(N)=N/c2ccccc2I)c1
InChIInChI=1S/C14H14IN3O/c1-19-11-6-4-5-10(9-11)17-14(16)18-13-8-3-2-7-12(13)15/h2-9H,1H3,(H3,16,17,18)
InChIKeyYIZIEKOUOUTTST-UHFFFAOYSA-N
MW367.19 g/mol
LogP3.36
Rot. Bonds3

About 2-(2-iodophenyl)-1-(3-methoxyphenyl)guanidine

2-(2-iodophenyl)-1-(3-methoxyphenyl)guanidine (PubChem CID 18752102) has the molecular formula C14H14IN3O and a molecular weight of 367.19 g/mol. Its IUPAC name is 2-(2-iodophenyl)-1-(3-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(2-iodophenyl)-1-(3-methoxyphenyl)guanidine
PubChem CID18752102
Molecular FormulaC14H14IN3O
Molecular Weight367.19 g/mol
Exact Mass367.02
IUPAC Name2-(2-iodophenyl)-1-(3-methoxyphenyl)guanidine
SMILESCOc1cccc(N/C(N)=N/c2ccccc2I)c1
InChIInChI=1S/C14H14IN3O/c1-19-11-6-4-5-10(9-11)17-14(16)18-13-8-3-2-7-12(13)15/h2-9H,1H3,(H3,16,17,18)
InChIKeyYIZIEKOUOUTTST-UHFFFAOYSA-N
XLogP3.36
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 53.36
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-methoxyphenyl)-2-pentylguanidine;hydroiodide
CID 111022589
1-(3-methoxyphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135513481
2-[[2-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111053898
2-(4,4-dimethylpentyl)-1-(3-methoxyphenyl)guanidine
CID 111818232
2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine
CID 18751670
1-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)butyl]guanidine
CID 111975479
1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111063263
2-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)guanidine
CID 111025676
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111808572
1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine
CID 111600655
2-(3-hydroxy-2-phenylpropyl)-1-(3-methoxyphenyl)guanidine
CID 111800004
2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111053993

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenyl)-1-(3-methoxyphenyl)guanidine?
The IUPAC name of 2-(2-iodophenyl)-1-(3-methoxyphenyl)guanidine (CID 18752102) is 2-(2-iodophenyl)-1-(3-methoxyphenyl)guanidine.
What is the SMILES notation for 2-(2-iodophenyl)-1-(3-methoxyphenyl)guanidine?
The canonical SMILES for 2-(2-iodophenyl)-1-(3-methoxyphenyl)guanidine is COc1cccc(N/C(N)=N/c2ccccc2I)c1.
What is the InChIKey of 2-(2-iodophenyl)-1-(3-methoxyphenyl)guanidine?
The InChIKey is YIZIEKOUOUTTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IN3O/c1-19-11-6-4-5-10(9-11)17-14(16)18-13-8-3-2-7-12(13)15/h2-9H,1H3,(H3,16,17,18).
What are the key properties of 2-(2-iodophenyl)-1-(3-methoxyphenyl)guanidine?
2-(2-iodophenyl)-1-(3-methoxyphenyl)guanidine has a molecular weight of 367.19 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenyl)-1-(3-methoxyphenyl)guanidine is sourced from PubChem (CID 18752102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).