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

C20H28N4O2 — CID 111686746

IUPAC1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-[2-(2-methylphenoxy)propyl]guanidine
SMILESCCN/C(=N\Cc1ccnc(OC)c1)NCC(C)Oc1ccccc1C
InChIInChI=1S/C20H28N4O2/c1-5-21-20(24-14-17-10-11-22-19(12-17)25-4)23-13-16(3)26-18-9-7-6-8-15(18)2/h6-12,16H,5,13-14H2,1-4H3,(H2,21,23,24)
InChIKeyFYVZDTXEFRUWAR-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.92
Rot. Bonds8

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

1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-[2-(2-methylphenoxy)propyl]guanidine (PubChem CID 111686746) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-[2-(2-methylphenoxy)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-[2-(2-methylphenoxy)propyl]guanidine
PubChem CID111686746
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-[2-(2-methylphenoxy)propyl]guanidine
SMILESCCN/C(=N\Cc1ccnc(OC)c1)NCC(C)Oc1ccccc1C
InChIInChI=1S/C20H28N4O2/c1-5-21-20(24-14-17-10-11-22-19(12-17)25-4)23-13-16(3)26-18-9-7-6-8-15(18)2/h6-12,16H,5,13-14H2,1-4H3,(H2,21,23,24)
InChIKeyFYVZDTXEFRUWAR-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
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

1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111682923
1-ethyl-3-[2-(2-methylphenoxy)propyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111503541
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]guanidine
CID 111683576
1-ethyl-3-[2-(2-methylphenoxy)propyl]-2-(pyridin-2-ylmethyl)guanidine
CID 111493980
1-ethyl-3-[2-(2-methylphenoxy)propyl]-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111686902
N-ethyl-3-[[[ethylamino-[2-(2-methylphenoxy)propylamino]methylidene]amino]methyl]benzamide
CID 111686574
1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126705
1-ethyl-3-[2-(2-methylphenoxy)propyl]-2-[[4-(methylsulfonylmethyl)phenyl]methyl]guanidine
CID 111686756
1-ethyl-3-[2-(2-methylphenoxy)propyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111686305
1-ethyl-2-[[3-(methoxymethyl)phenyl]methyl]-3-[2-(2-methoxyphenoxy)propyl]guanidine
CID 111683008
1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[2-(2-methylphenoxy)propyl]guanidine
CID 111686340
2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-ethyl-3-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111684991

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-[2-(2-methylphenoxy)propyl]guanidine?
The IUPAC name of 1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-[2-(2-methylphenoxy)propyl]guanidine (CID 111686746) is 1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-[2-(2-methylphenoxy)propyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-[2-(2-methylphenoxy)propyl]guanidine?
The canonical SMILES for 1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-[2-(2-methylphenoxy)propyl]guanidine is CCN/C(=N\Cc1ccnc(OC)c1)NCC(C)Oc1ccccc1C.
What is the InChIKey of 1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-[2-(2-methylphenoxy)propyl]guanidine?
The InChIKey is FYVZDTXEFRUWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-5-21-20(24-14-17-10-11-22-19(12-17)25-4)23-13-16(3)26-18-9-7-6-8-15(18)2/h6-12,16H,5,13-14H2,1-4H3,(H2,21,23,24).
What are the key properties of 1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-[2-(2-methylphenoxy)propyl]guanidine?
1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-[2-(2-methylphenoxy)propyl]guanidine has a molecular weight of 356.47 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-[2-(2-methylphenoxy)propyl]guanidine is sourced from PubChem (CID 111686746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).