1-(2-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide

C17H22IN3O2 — CID 111031973

IUPAC1-(2-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
SMILESCOc1ccccc1N/C(N)=N/CCOc1cccc(C)c1.I
InChIInChI=1S/C17H21N3O2.HI/c1-13-6-5-7-14(12-13)22-11-10-19-17(18)20-15-8-3-4-9-16(15)21-2;/h3-9,12H,10-11H2,1-2H3,(H3,18,19,20);1H
InChIKeyICGMNEZBVDPAGX-UHFFFAOYSA-N
MW427.29 g/mol
LogP3.43
Rot. Bonds6

About 1-(2-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide

1-(2-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide (PubChem CID 111031973) has the molecular formula C17H22IN3O2 and a molecular weight of 427.29 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
PubChem CID111031973
Molecular FormulaC17H22IN3O2
Molecular Weight427.29 g/mol
Exact Mass427.08
IUPAC Name1-(2-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
SMILESCOc1ccccc1N/C(N)=N/CCOc1cccc(C)c1.I
InChIInChI=1S/C17H21N3O2.HI/c1-13-6-5-7-14(12-13)22-11-10-19-17(18)20-15-8-3-4-9-16(15)21-2;/h3-9,12H,10-11H2,1-2H3,(H3,18,19,20);1H
InChIKeyICGMNEZBVDPAGX-UHFFFAOYSA-N
XLogP3.43
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.29
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[3-[2-[[amino-(2-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 111101620
1-(2-methoxyphenyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine;hydroiodide
CID 111072968
2-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111036195
1-(3-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 111031972
1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111077718
1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 64869053
2-[2-(3-chlorophenoxy)ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111071449
1-ethyl-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 62364211
N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
CID 19173646
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
N-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide
CID 111101623
2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine
CID 100667411

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide (CID 111031973) is 1-(2-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide is COc1ccccc1N/C(N)=N/CCOc1cccc(C)c1.I.
What is the InChIKey of 1-(2-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide?
The InChIKey is ICGMNEZBVDPAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.HI/c1-13-6-5-7-14(12-13)22-11-10-19-17(18)20-15-8-3-4-9-16(15)21-2;/h3-9,12H,10-11H2,1-2H3,(H3,18,19,20);1H.
What are the key properties of 1-(2-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide?
1-(2-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide has a molecular weight of 427.29 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111031973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).