2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-1-phenylguanidine;hydroiodide

C20H29IN4O2 — CID 110935270

IUPAC2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-1-phenylguanidine;hydroiodide
SMILESCOCCN(C)CCOc1cccc(C/N=C(\N)Nc2ccccc2)c1.I
InChIInChI=1S/C20H28N4O2.HI/c1-24(11-13-25-2)12-14-26-19-10-6-7-17(15-19)16-22-20(21)23-18-8-4-3-5-9-18;/h3-10,15H,11-14,16H2,1-2H3,(H3,21,22,23);1H
InChIKeyMGGUDGCBUUEAJS-UHFFFAOYSA-N
MW484.38 g/mol
LogP3.19
Rot. Bonds10

About 2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-1-phenylguanidine;hydroiodide

2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-1-phenylguanidine;hydroiodide (PubChem CID 110935270) has the molecular formula C20H29IN4O2 and a molecular weight of 484.38 g/mol. Its IUPAC name is 2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-1-phenylguanidine;hydroiodide
PubChem CID110935270
Molecular FormulaC20H29IN4O2
Molecular Weight484.38 g/mol
Exact Mass484.13
IUPAC Name2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-1-phenylguanidine;hydroiodide
SMILESCOCCN(C)CCOc1cccc(C/N=C(\N)Nc2ccccc2)c1.I
InChIInChI=1S/C20H28N4O2.HI/c1-24(11-13-25-2)12-14-26-19-10-6-7-17(15-19)16-22-20(21)23-18-8-4-3-5-9-18;/h3-10,15H,11-14,16H2,1-2H3,(H3,21,22,23);1H
InChIKeyMGGUDGCBUUEAJS-UHFFFAOYSA-N
XLogP3.19
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,3-dihydro-1H-inden-5-yl)-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine;hydroiodide
CID 111097390
1-tert-butyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine
CID 111097371
2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111061365
1-(3,5-dimethylphenyl)-2-[[3-(2-methoxyethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111061374
1-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(2-methoxyethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111061404
1-(3-methylphenyl)-2-[(3-propoxyphenyl)methyl]guanidine;hydroiodide
CID 111072818
2-[(3-ethoxyphenyl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111049449
1-ethyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111235210
1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111075946
1-ethyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-3-(3-methylbutyl)guanidine;hydroiodide
CID 110978736
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine
CID 109410689
2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721156

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-1-phenylguanidine;hydroiodide (CID 110935270) is 2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-1-phenylguanidine;hydroiodide is COCCN(C)CCOc1cccc(C/N=C(\N)Nc2ccccc2)c1.I.
What is the InChIKey of 2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-1-phenylguanidine;hydroiodide?
The InChIKey is MGGUDGCBUUEAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2.HI/c1-24(11-13-25-2)12-14-26-19-10-6-7-17(15-19)16-22-20(21)23-18-8-4-3-5-9-18;/h3-10,15H,11-14,16H2,1-2H3,(H3,21,22,23);1H.
What are the key properties of 2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-1-phenylguanidine;hydroiodide?
2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-1-phenylguanidine;hydroiodide has a molecular weight of 484.38 g/mol, XLogP of 3.19, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 110935270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).