2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-propylguanidine

C18H24N4O2 — CID 111051132

IUPAC2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/Cc1ccnc(Oc2ccc(OCC)cc2)c1
InChIInChI=1S/C18H24N4O2/c1-3-10-21-18(19)22-13-14-9-11-20-17(12-14)24-16-7-5-15(6-8-16)23-4-2/h5-9,11-12H,3-4,10,13H2,1-2H3,(H3,19,21,22)
InChIKeyCNVSJHNHZUMUEU-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.09
Rot. Bonds8

About 2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-propylguanidine

2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-propylguanidine (PubChem CID 111051132) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-propylguanidine
PubChem CID111051132
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/Cc1ccnc(Oc2ccc(OCC)cc2)c1
InChIInChI=1S/C18H24N4O2/c1-3-10-21-18(19)22-13-14-9-11-20-17(12-14)24-16-7-5-15(6-8-16)23-4-2/h5-9,11-12H,3-4,10,13H2,1-2H3,(H3,19,21,22)
InChIKeyCNVSJHNHZUMUEU-UHFFFAOYSA-N
XLogP3.09
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.09
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-butyl-2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111051125
1-(3,4-dimethoxyphenyl)-2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]guanidine
CID 111051154
1-(3,4-dimethoxyphenyl)-2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111051153
2-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110914204
2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111051115
1-tert-butyl-2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-ethylguanidine;hydroiodide
CID 110964392
1-butyl-2-[(2-methoxy-4-pyridinyl)methyl]guanidine
CID 111041567
2-[(3-ethoxyphenyl)methyl]-1-propylguanidine;hydroiodide
CID 110912184
1-butan-2-yl-2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-ethylguanidine;hydroiodide
CID 110943221
2-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111091745
2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide
CID 111713060
4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61269154

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-propylguanidine?
The IUPAC name of 2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-propylguanidine (CID 111051132) is 2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-propylguanidine.
What is the SMILES notation for 2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-propylguanidine?
The canonical SMILES for 2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-propylguanidine is CCCN/C(N)=N/Cc1ccnc(Oc2ccc(OCC)cc2)c1.
What is the InChIKey of 2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-propylguanidine?
The InChIKey is CNVSJHNHZUMUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-10-21-18(19)22-13-14-9-11-20-17(12-14)24-16-7-5-15(6-8-16)23-4-2/h5-9,11-12H,3-4,10,13H2,1-2H3,(H3,19,21,22).
What are the key properties of 2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-propylguanidine?
2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-propylguanidine has a molecular weight of 328.42 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-propylguanidine is sourced from PubChem (CID 111051132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).