1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C17H23IN4O — CID 111026860

IUPAC1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCc1ccc(OCCN/C(N)=N/CCc2ccccn2)cc1.I
InChIInChI=1S/C17H22N4O.HI/c1-14-5-7-16(8-6-14)22-13-12-21-17(18)20-11-9-15-4-2-3-10-19-15;/h2-8,10H,9,11-13H2,1H3,(H3,18,20,21);1H
InChIKeyBZXOSJZKJWWGGI-UHFFFAOYSA-N
MW426.30 g/mol
LogP2.53
Rot. Bonds7

About 1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide

1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111026860) has the molecular formula C17H23IN4O and a molecular weight of 426.30 g/mol. Its IUPAC name is 1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111026860
Molecular FormulaC17H23IN4O
Molecular Weight426.30 g/mol
Exact Mass426.09
IUPAC Name1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCc1ccc(OCCN/C(N)=N/CCc2ccccn2)cc1.I
InChIInChI=1S/C17H22N4O.HI/c1-14-5-7-16(8-6-14)22-13-12-21-17(18)20-11-9-15-4-2-3-10-19-15;/h2-8,10H,9,11-13H2,1H3,(H3,18,20,21);1H
InChIKeyBZXOSJZKJWWGGI-UHFFFAOYSA-N
XLogP2.53
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.30
LogP ≤ 52.53
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-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111036934
1-[2-(4-propan-2-yloxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111049786
2-(3-methylbutyl)-1-[2-(4-methylphenoxy)ethyl]guanidine
CID 111026821
1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide
CID 111028419
1-(2-naphthalen-2-ylethyl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111069799
2-(3-ethoxypropyl)-1-[2-(4-methylphenoxy)ethyl]guanidine
CID 111026847
1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800785
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
1-[2-(4-chlorophenoxy)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 111032317
1-[2-(4-methylsulfonylphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111613805
2-(4,4-dimethylpentyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111637947
1-butyl-2-[3-(4-methylphenoxy)propyl]guanidine
CID 111088299

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111026860) is 1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide is Cc1ccc(OCCN/C(N)=N/CCc2ccccn2)cc1.I.
What is the InChIKey of 1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is BZXOSJZKJWWGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.HI/c1-14-5-7-16(8-6-14)22-13-12-21-17(18)20-11-9-15-4-2-3-10-19-15;/h2-8,10H,9,11-13H2,1H3,(H3,18,20,21);1H.
What are the key properties of 1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 426.30 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111026860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).