2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide

C14H24IN3O2 — CID 111061286

IUPAC2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1ccc(OCCOC)cc1.I
InChIInChI=1S/C14H23N3O2.HI/c1-3-8-16-14(15)17-11-12-4-6-13(7-5-12)19-10-9-18-2;/h4-7H,3,8-11H2,1-2H3,(H3,15,16,17);1H
InChIKeyYQOJATCNXWUPCS-UHFFFAOYSA-N
MW393.27 g/mol
LogP2.14
Rot. Bonds8

About 2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide

2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide (PubChem CID 111061286) has the molecular formula C14H24IN3O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide
PubChem CID111061286
Molecular FormulaC14H24IN3O2
Molecular Weight393.27 g/mol
Exact Mass393.09
IUPAC Name2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1ccc(OCCOC)cc1.I
InChIInChI=1S/C14H23N3O2.HI/c1-3-8-16-14(15)17-11-12-4-6-13(7-5-12)19-10-9-18-2;/h4-7H,3,8-11H2,1-2H3,(H3,15,16,17);1H
InChIKeyYQOJATCNXWUPCS-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
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-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111061293
2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111061302
1-butyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111061368
2-[[4-(phenoxymethyl)phenyl]methyl]-1-propylguanidine
CID 111054261
1-butyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]guanidine
CID 111061369
1-hexyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111061382
4-[[[amino(propylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111048363
2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 51131423
2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110924905
2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine
CID 51131424
2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide
CID 110924455
1-butyl-2-[[4-(methoxymethyl)phenyl]methyl]guanidine
CID 111053813

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide?
The IUPAC name of 2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide (CID 111061286) is 2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide.
What is the SMILES notation for 2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide?
The canonical SMILES for 2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide is CCCN/C(N)=N/Cc1ccc(OCCOC)cc1.I.
What is the InChIKey of 2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide?
The InChIKey is YQOJATCNXWUPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.HI/c1-3-8-16-14(15)17-11-12-4-6-13(7-5-12)19-10-9-18-2;/h4-7H,3,8-11H2,1-2H3,(H3,15,16,17);1H.
What are the key properties of 2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide?
2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide has a molecular weight of 393.27 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide is sourced from PubChem (CID 111061286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).