2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide

C14H16IN3O — CID 110915540

IUPAC2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide
SMILESI.NC(N)=NCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H15N3O.HI/c15-14(16)17-10-11-5-4-8-13(9-11)18-12-6-2-1-3-7-12;/h1-9H,10H2,(H4,15,16,17);1H
InChIKeyXGTAXXSGDLFTDL-UHFFFAOYSA-N
MW369.21 g/mol
LogP2.87
Rot. Bonds4

About 2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide

2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide (PubChem CID 110915540) has the molecular formula C14H16IN3O and a molecular weight of 369.21 g/mol. Its IUPAC name is 2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide
PubChem CID110915540
Molecular FormulaC14H16IN3O
Molecular Weight369.21 g/mol
Exact Mass369.03
IUPAC Name2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide
SMILESI.NC(N)=NCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H15N3O.HI/c15-14(16)17-10-11-5-4-8-13(9-11)18-12-6-2-1-3-7-12;/h1-9H,10H2,(H4,15,16,17);1H
InChIKeyXGTAXXSGDLFTDL-UHFFFAOYSA-N
XLogP2.87
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 52.87
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

1,1-diethyl-2-[(3-phenoxyphenyl)methyl]guanidine
CID 111069350
2-[[3-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110930301
2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 110915389
2-[(3-chlorophenyl)methyl]guanidine;hydroiodide
CID 167747614
bis(2-[(3-methoxyphenyl)methyl]guanidine);sulfuric acid
CID 43810780
2-(3-phenoxyphenyl)ethanethioamide
CID 54208261
1-(3-phenoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111597443
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
2-[(3-fluorophenyl)methyl]guanidine
CID 14963573
2-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenoxy]acetamide
CID 111801782
N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide
CID 111598250
dideuterio-(3-phenoxyphenyl)methanol
CID 12604006

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide?
The IUPAC name of 2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide (CID 110915540) is 2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide is I.NC(N)=NCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide?
The InChIKey is XGTAXXSGDLFTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O.HI/c15-14(16)17-10-11-5-4-8-13(9-11)18-12-6-2-1-3-7-12;/h1-9H,10H2,(H4,15,16,17);1H.
What are the key properties of 2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide?
2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide has a molecular weight of 369.21 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 110915540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).