1-[3-(diethylamino)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine

C20H36N4O2 — CID 111683154

IUPAC1-[3-(diethylamino)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine
SMILESCCN/C(=N\CC(C)Oc1ccccc1OC)NCCCN(CC)CC
InChIInChI=1S/C20H36N4O2/c1-6-21-20(22-14-11-15-24(7-2)8-3)23-16-17(4)26-19-13-10-9-12-18(19)25-5/h9-10,12-13,17H,6-8,11,14-16H2,1-5H3,(H2,21,22,23)
InChIKeyCXRNZFSKJJKADG-UHFFFAOYSA-N
MW364.53 g/mol
LogP2.75
Rot. Bonds12

About 1-[3-(diethylamino)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine

1-[3-(diethylamino)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine (PubChem CID 111683154) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine
PubChem CID111683154
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC Name1-[3-(diethylamino)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine
SMILESCCN/C(=N\CC(C)Oc1ccccc1OC)NCCCN(CC)CC
InChIInChI=1S/C20H36N4O2/c1-6-21-20(22-14-11-15-24(7-2)8-3)23-16-17(4)26-19-13-10-9-12-18(19)25-5/h9-10,12-13,17H,6-8,11,14-16H2,1-5H3,(H2,21,22,23)
InChIKeyCXRNZFSKJJKADG-UHFFFAOYSA-N
XLogP2.75
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

1-[2-(diethylamino)ethyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111682543
1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-(3-methoxypropyl)guanidine
CID 111494506
1-[3-(dimethylamino)propyl]-3-ethyl-2-[2-(2-methylphenoxy)propyl]guanidine;hydroiodide
CID 111686589
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111503608
1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine
CID 111683724
1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 111494298
1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111683331
N-[2-[[N-ethyl-N'-[2-(2-methoxyphenoxy)propyl]carbamimidoyl]amino]ethyl]-2-hydroxybenzamide
CID 111989529
1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111682347
N-[2-[[N-ethyl-N'-[2-(2-methoxyphenoxy)propyl]carbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 111682704
1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine
CID 111683544
1-[3-(dimethylamino)propyl]-3-ethyl-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111679407

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine?
The IUPAC name of 1-[3-(diethylamino)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine (CID 111683154) is 1-[3-(diethylamino)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine?
The canonical SMILES for 1-[3-(diethylamino)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine is CCN/C(=N\CC(C)Oc1ccccc1OC)NCCCN(CC)CC.
What is the InChIKey of 1-[3-(diethylamino)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine?
The InChIKey is CXRNZFSKJJKADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2/c1-6-21-20(22-14-11-15-24(7-2)8-3)23-16-17(4)26-19-13-10-9-12-18(19)25-5/h9-10,12-13,17H,6-8,11,14-16H2,1-5H3,(H2,21,22,23).
What are the key properties of 1-[3-(diethylamino)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine?
1-[3-(diethylamino)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine has a molecular weight of 364.53 g/mol, XLogP of 2.75, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine is sourced from PubChem (CID 111683154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).