2-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide

C14H24IN3O2 — CID 110914959

IUPAC2-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
SMILESCCOCc1ccccc1C/N=C(\N)NCCOC.I
InChIInChI=1S/C14H23N3O2.HI/c1-3-19-11-13-7-5-4-6-12(13)10-17-14(15)16-8-9-18-2;/h4-7H,3,8-11H2,1-2H3,(H3,15,16,17);1H
InChIKeyANTFTQDHHJMTFQ-UHFFFAOYSA-N
MW393.27 g/mol
LogP1.89
Rot. Bonds8

About 2-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide

2-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide (PubChem CID 110914959) has the molecular formula C14H24IN3O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is 2-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
PubChem CID110914959
Molecular FormulaC14H24IN3O2
Molecular Weight393.27 g/mol
Exact Mass393.09
IUPAC Name2-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
SMILESCCOCc1ccccc1C/N=C(\N)NCCOC.I
InChIInChI=1S/C14H23N3O2.HI/c1-3-19-11-13-7-5-4-6-12(13)10-17-14(15)16-8-9-18-2;/h4-7H,3,8-11H2,1-2H3,(H3,15,16,17);1H
InChIKeyANTFTQDHHJMTFQ-UHFFFAOYSA-N
XLogP1.89
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 51.89
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

2-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylguanidine
CID 55063954
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110914071
1-(cyclobutylmethyl)-2-[[2-(ethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111054224
1-(3-ethoxypropyl)-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine
CID 111077313
2-[(2,3-dimethoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 75419036
1-(2-methylpropyl)-2-[[2-(propoxymethyl)phenyl]methyl]guanidine
CID 111070700
1-(1-methoxypropan-2-yl)-2-[[2-(propoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111070759
1-(2-methoxyethyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine
CID 110918819
2-[(2-butoxy-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine
CID 110918831
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053926
2-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide
CID 110912322
2-[[2-(ethoxymethyl)phenyl]methyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652602

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The IUPAC name of 2-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide (CID 110914959) is 2-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide is CCOCc1ccccc1C/N=C(\N)NCCOC.I.
What is the InChIKey of 2-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The InChIKey is ANTFTQDHHJMTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.HI/c1-3-19-11-13-7-5-4-6-12(13)10-17-14(15)16-8-9-18-2;/h4-7H,3,8-11H2,1-2H3,(H3,15,16,17);1H.
What are the key properties of 2-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
2-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide has a molecular weight of 393.27 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 110914959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).