3-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-1,1,2-trimethylguanidine;hydroiodide

C15H26IN3O2 — CID 75482656

IUPAC3-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-1,1,2-trimethylguanidine;hydroiodide
SMILESC/N=C(/NCc1ccc(C)cc1OCCOC)N(C)C.I
InChIInChI=1S/C15H25N3O2.HI/c1-12-6-7-13(11-17-15(16-2)18(3)4)14(10-12)20-9-8-19-5;/h6-7,10H,8-9,11H2,1-5H3,(H,16,17);1H
InChIKeyNPBMWFHRYKXZQI-UHFFFAOYSA-N
MW407.30 g/mol
LogP2.28
Rot. Bonds6

About 3-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-1,1,2-trimethylguanidine;hydroiodide

3-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-1,1,2-trimethylguanidine;hydroiodide (PubChem CID 75482656) has the molecular formula C15H26IN3O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is 3-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-1,1,2-trimethylguanidine;hydroiodide.

Molecular Properties

Compound Name3-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-1,1,2-trimethylguanidine;hydroiodide
PubChem CID75482656
Molecular FormulaC15H26IN3O2
Molecular Weight407.30 g/mol
Exact Mass407.11
IUPAC Name3-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-1,1,2-trimethylguanidine;hydroiodide
SMILESC/N=C(/NCc1ccc(C)cc1OCCOC)N(C)C.I
InChIInChI=1S/C15H25N3O2.HI/c1-12-6-7-13(11-17-15(16-2)18(3)4)14(10-12)20-9-8-19-5;/h6-7,10H,8-9,11H2,1-5H3,(H,16,17);1H
InChIKeyNPBMWFHRYKXZQI-UHFFFAOYSA-N
XLogP2.28
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
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'}

Analyze 3-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-1,1,2-trimethylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpropanamide
CID 119339379
(2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide
CID 119811330
5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide
CID 120637316
3-[[2-(3-methoxypropoxy)-4-methylphenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122005901
2-[[N'-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-N-(2-methoxyethyl)carbamimidoyl]amino]-N,N-dimethylacetamide
CID 110045371
2-(4-aminophenyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]acetamide;hydrochloride
CID 119811607
2-[[N'-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-N-prop-2-enylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110045376
4-[[2-(2-methoxyethoxy)-4-methylphenyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122005941
(2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637313
2-[[N-[2-(furan-2-yl)ethyl]-N'-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110058619
4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide
CID 119811646
2-[[N-(cyclohexylmethyl)-N'-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110045372

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-1,1,2-trimethylguanidine;hydroiodide?
The IUPAC name of 3-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-1,1,2-trimethylguanidine;hydroiodide (CID 75482656) is 3-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-1,1,2-trimethylguanidine;hydroiodide.
What is the SMILES notation for 3-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-1,1,2-trimethylguanidine;hydroiodide?
The canonical SMILES for 3-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-1,1,2-trimethylguanidine;hydroiodide is C/N=C(/NCc1ccc(C)cc1OCCOC)N(C)C.I.
What is the InChIKey of 3-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-1,1,2-trimethylguanidine;hydroiodide?
The InChIKey is NPBMWFHRYKXZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.HI/c1-12-6-7-13(11-17-15(16-2)18(3)4)14(10-12)20-9-8-19-5;/h6-7,10H,8-9,11H2,1-5H3,(H,16,17);1H.
What are the key properties of 3-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-1,1,2-trimethylguanidine;hydroiodide?
3-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-1,1,2-trimethylguanidine;hydroiodide has a molecular weight of 407.30 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-1,1,2-trimethylguanidine;hydroiodide is sourced from PubChem (CID 75482656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).