2-methyl-1-(2-phenoxypropyl)-3-(2-phenylethyl)guanidine;hydroiodide

C19H26IN3O — CID 111787920

IUPAC2-methyl-1-(2-phenoxypropyl)-3-(2-phenylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCc1ccccc1)NCC(C)Oc1ccccc1.I
InChIInChI=1S/C19H25N3O.HI/c1-16(23-18-11-7-4-8-12-18)15-22-19(20-2)21-14-13-17-9-5-3-6-10-17;/h3-12,16H,13-15H2,1-2H3,(H2,20,21,22);1H
InChIKeyGQAUCIYPGGTQMH-UHFFFAOYSA-N
MW439.34 g/mol
LogP3.48
Rot. Bonds7

About 2-methyl-1-(2-phenoxypropyl)-3-(2-phenylethyl)guanidine;hydroiodide

2-methyl-1-(2-phenoxypropyl)-3-(2-phenylethyl)guanidine;hydroiodide (PubChem CID 111787920) has the molecular formula C19H26IN3O and a molecular weight of 439.34 g/mol. Its IUPAC name is 2-methyl-1-(2-phenoxypropyl)-3-(2-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(2-phenoxypropyl)-3-(2-phenylethyl)guanidine;hydroiodide
PubChem CID111787920
Molecular FormulaC19H26IN3O
Molecular Weight439.34 g/mol
Exact Mass439.11
IUPAC Name2-methyl-1-(2-phenoxypropyl)-3-(2-phenylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCc1ccccc1)NCC(C)Oc1ccccc1.I
InChIInChI=1S/C19H25N3O.HI/c1-16(23-18-11-7-4-8-12-18)15-22-19(20-2)21-14-13-17-9-5-3-6-10-17;/h3-12,16H,13-15H2,1-2H3,(H2,20,21,22);1H
InChIKeyGQAUCIYPGGTQMH-UHFFFAOYSA-N
XLogP3.48
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 53.48
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-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(2-phenoxypropyl)guanidine;hydroiodide
CID 111788526
1-[2-(3-methoxyphenoxy)propyl]-3-[2-(3-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111678891
2-[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(2-phenylethyl)acetamide
CID 111677918
2-methyl-1-pentyl-3-(2-phenoxypropyl)guanidine
CID 111787907
1-tert-butyl-2-methyl-3-(2-phenoxypropyl)guanidine;hydroiodide
CID 111547220
methyl 2-methyl-3-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111135278
2-[4-[2-[[N-[2-(4-chlorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]phenoxy]acetamide;hydroiodide
CID 111680783
2-[[N'-methyl-N-[2-(2-methylphenoxy)propyl]carbamimidoyl]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111686397
1-cyclopropyl-2-methyl-3-(2-phenoxypropyl)guanidine;hydroiodide
CID 111179317
1-benzyl-3-[2-(3-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111492793
1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111497402
2-methyl-1-(3-methylbutan-2-yl)-3-(2-phenylethyl)guanidine;hydroiodide
CID 111001612

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenoxypropyl)-3-(2-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(2-phenoxypropyl)-3-(2-phenylethyl)guanidine;hydroiodide (CID 111787920) is 2-methyl-1-(2-phenoxypropyl)-3-(2-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(2-phenoxypropyl)-3-(2-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(2-phenoxypropyl)-3-(2-phenylethyl)guanidine;hydroiodide is C/N=C(\NCCc1ccccc1)NCC(C)Oc1ccccc1.I.
What is the InChIKey of 2-methyl-1-(2-phenoxypropyl)-3-(2-phenylethyl)guanidine;hydroiodide?
The InChIKey is GQAUCIYPGGTQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.HI/c1-16(23-18-11-7-4-8-12-18)15-22-19(20-2)21-14-13-17-9-5-3-6-10-17;/h3-12,16H,13-15H2,1-2H3,(H2,20,21,22);1H.
What are the key properties of 2-methyl-1-(2-phenoxypropyl)-3-(2-phenylethyl)guanidine;hydroiodide?
2-methyl-1-(2-phenoxypropyl)-3-(2-phenylethyl)guanidine;hydroiodide has a molecular weight of 439.34 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenoxypropyl)-3-(2-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111787920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).