1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine

C20H28N4O2 — CID 109404389

IUPAC1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
SMILESC/N=C(\NCCc1ccncc1C)NCC(C)Oc1cccc(OC)c1
InChIInChI=1S/C20H28N4O2/c1-15-13-22-10-8-17(15)9-11-23-20(21-3)24-14-16(2)26-19-7-5-6-18(12-19)25-4/h5-8,10,12-13,16H,9,11,14H2,1-4H3,(H2,21,23,24)
InChIKeyCXDWVULKAUEAAP-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.57
Rot. Bonds8

About 1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine

1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine (PubChem CID 109404389) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine.

Molecular Properties

Compound Name1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
PubChem CID109404389
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
SMILESC/N=C(\NCCc1ccncc1C)NCC(C)Oc1cccc(OC)c1
InChIInChI=1S/C20H28N4O2/c1-15-13-22-10-8-17(15)9-11-23-20(21-3)24-14-16(2)26-19-7-5-6-18(12-19)25-4/h5-8,10,12-13,16H,9,11,14H2,1-4H3,(H2,21,23,24)
InChIKeyCXDWVULKAUEAAP-UHFFFAOYSA-N
XLogP2.57
TPSA67.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109404461
1-[2-(3-methoxyphenoxy)propyl]-3-[2-(3-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111678891
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 111494985
1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine
CID 111679950
1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine
CID 111501791
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111680055
1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109402143
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111679819
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109402565
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]guanidine
CID 111680080
1-[2-(2-methoxyethoxy)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111679931
1-(2-methoxy-3,3-dimethylbutyl)-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109404606

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine?
The IUPAC name of 1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine (CID 109404389) is 1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine.
What is the SMILES notation for 1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine?
The canonical SMILES for 1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine is C/N=C(\NCCc1ccncc1C)NCC(C)Oc1cccc(OC)c1.
What is the InChIKey of 1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine?
The InChIKey is CXDWVULKAUEAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15-13-22-10-8-17(15)9-11-23-20(21-3)24-14-16(2)26-19-7-5-6-18(12-19)25-4/h5-8,10,12-13,16H,9,11,14H2,1-4H3,(H2,21,23,24).
What are the key properties of 1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine?
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine has a molecular weight of 356.47 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine is sourced from PubChem (CID 109404389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).