2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide

C14H16IN3O — CID 110912668

IUPAC2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide
SMILESC/N=C(\N)Nc1cccc(Oc2ccccc2)c1.I
InChIInChI=1S/C14H15N3O.HI/c1-16-14(15)17-11-6-5-9-13(10-11)18-12-7-3-2-4-8-12;/h2-10H,1H3,(H3,15,16,17);1H
InChIKeyFVQLLDFIDPHYED-UHFFFAOYSA-N
MW369.21 g/mol
LogP3.45
Rot. Bonds3

About 2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide

2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide (PubChem CID 110912668) has the molecular formula C14H16IN3O and a molecular weight of 369.21 g/mol. Its IUPAC name is 2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide
PubChem CID110912668
Molecular FormulaC14H16IN3O
Molecular Weight369.21 g/mol
Exact Mass369.03
IUPAC Name2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide
SMILESC/N=C(\N)Nc1cccc(Oc2ccccc2)c1.I
InChIInChI=1S/C14H15N3O.HI/c1-16-14(15)17-11-6-5-9-13(10-11)18-12-7-3-2-4-8-12;/h2-10H,1H3,(H3,15,16,17);1H
InChIKeyFVQLLDFIDPHYED-UHFFFAOYSA-N
XLogP3.45
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 53.45
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-ethyl-1-(3-phenoxyphenyl)guanidine
CID 55068736
1-amino-2-methyl-3-(3-phenoxyphenyl)guanidine
CID 116510859
2-(cyclopropylmethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598069
2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597475
2-(2-ethyl-2-hydroxybutyl)-1-(3-phenoxyphenyl)guanidine
CID 111599830
2-(2-hydroxy-2-phenylpropyl)-1-(3-phenoxyphenyl)guanidine
CID 111823533
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide
CID 111599308
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597801
3-[[amino-(3-phenoxyanilino)methylidene]amino]-2,2-dimethylpropanamide
CID 111599274
1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111063263
1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111598315
2-[(1-methylpyrrol-3-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111721760

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide (CID 110912668) is 2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide is C/N=C(\N)Nc1cccc(Oc2ccccc2)c1.I.
What is the InChIKey of 2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide?
The InChIKey is FVQLLDFIDPHYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O.HI/c1-16-14(15)17-11-6-5-9-13(10-11)18-12-7-3-2-4-8-12;/h2-10H,1H3,(H3,15,16,17);1H.
What are the key properties of 2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide?
2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide has a molecular weight of 369.21 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 110912668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).