2-methyl-1-(2-methylcyclopropyl)-3-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide

C20H26IN3O — CID 111961612

IUPAC2-methyl-1-(2-methylcyclopropyl)-3-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCOc1ccccc1-c1ccccc1)NC1CC1C.I
InChIInChI=1S/C20H25N3O.HI/c1-15-14-18(15)23-20(21-2)22-12-13-24-19-11-7-6-10-17(19)16-8-4-3-5-9-16;/h3-11,15,18H,12-14H2,1-2H3,(H2,21,22,23);1H
InChIKeyBWUDGNJONYNPGN-UHFFFAOYSA-N
MW451.35 g/mol
LogP3.92
Rot. Bonds6

About 2-methyl-1-(2-methylcyclopropyl)-3-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide

2-methyl-1-(2-methylcyclopropyl)-3-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide (PubChem CID 111961612) has the molecular formula C20H26IN3O and a molecular weight of 451.35 g/mol. Its IUPAC name is 2-methyl-1-(2-methylcyclopropyl)-3-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(2-methylcyclopropyl)-3-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide
PubChem CID111961612
Molecular FormulaC20H26IN3O
Molecular Weight451.35 g/mol
Exact Mass451.11
IUPAC Name2-methyl-1-(2-methylcyclopropyl)-3-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCOc1ccccc1-c1ccccc1)NC1CC1C.I
InChIInChI=1S/C20H25N3O.HI/c1-15-14-18(15)23-20(21-2)22-12-13-24-19-11-7-6-10-17(19)16-8-4-3-5-9-16;/h3-11,15,18H,12-14H2,1-2H3,(H2,21,22,23);1H
InChIKeyBWUDGNJONYNPGN-UHFFFAOYSA-N
XLogP3.92
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine
CID 110917179
1-(3-ethoxypropyl)-2-methyl-3-[2-(2-phenylphenoxy)ethyl]guanidine
CID 111221827
2-methyl-1-(2-methylcyclopropyl)-3-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111366816
1-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111961890
2-methyl-1-(2-methylcyclopropyl)-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111373074
1-[2-(3,5-dimethylphenoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111962696
1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111961245
2-methyl-1-(2-methylcyclopropyl)-3-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111963724
1-(3-anilinopropyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111963344
1-cyclopropyl-2-methyl-3-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide
CID 110934292
2-methyl-1-[2-(N-methylanilino)ethyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111962486
2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[2-(2-phenylphenoxy)ethyl]guanidine
CID 111523415

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylcyclopropyl)-3-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(2-methylcyclopropyl)-3-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide (CID 111961612) is 2-methyl-1-(2-methylcyclopropyl)-3-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(2-methylcyclopropyl)-3-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(2-methylcyclopropyl)-3-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide is C/N=C(\NCCOc1ccccc1-c1ccccc1)NC1CC1C.I.
What is the InChIKey of 2-methyl-1-(2-methylcyclopropyl)-3-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide?
The InChIKey is BWUDGNJONYNPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.HI/c1-15-14-18(15)23-20(21-2)22-12-13-24-19-11-7-6-10-17(19)16-8-4-3-5-9-16;/h3-11,15,18H,12-14H2,1-2H3,(H2,21,22,23);1H.
What are the key properties of 2-methyl-1-(2-methylcyclopropyl)-3-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide?
2-methyl-1-(2-methylcyclopropyl)-3-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide has a molecular weight of 451.35 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylcyclopropyl)-3-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111961612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).