1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-pent-3-enylguanidine

C16H25N3O2 — CID 111587709

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-pent-3-enylguanidine
SMILESCC=CCCN/C(=N\C)NCCOc1ccc(OC)cc1
InChIInChI=1S/C16H25N3O2/c1-4-5-6-11-18-16(17-2)19-12-13-21-15-9-7-14(20-3)8-10-15/h4-5,7-10H,6,11-13H2,1-3H3,(H2,17,18,19)
InChIKeyFFVJGPPVFNZUOS-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.21
Rot. Bonds8

About 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-pent-3-enylguanidine

1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-pent-3-enylguanidine (PubChem CID 111587709) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-pent-3-enylguanidine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-pent-3-enylguanidine
PubChem CID111587709
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-pent-3-enylguanidine
SMILESCC=CCCN/C(=N\C)NCCOc1ccc(OC)cc1
InChIInChI=1S/C16H25N3O2/c1-4-5-6-11-18-16(17-2)19-12-13-21-15-9-7-14(20-3)8-10-15/h4-5,7-10H,6,11-13H2,1-3H3,(H2,17,18,19)
InChIKeyFFVJGPPVFNZUOS-UHFFFAOYSA-N
XLogP2.21
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.21
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyethyl)-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111410220
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111778938
1-(3-ethoxypropyl)-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 111222989
3-[[N-[2-(4-methoxyphenoxy)ethyl]-N'-methylcarbamimidoyl]amino]-N,N-dimethylpropanamide
CID 111410277
1-butyl-3-[3-(4-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111150409
1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 111410081
1-[3-(4-methoxyphenoxy)propyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111182264
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111005600
1-cyclopropyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 110933580
1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 110991331
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(3-methoxyphenyl)ethyl]-2-methylguanidine
CID 111410613
1-[7-(dimethylamino)heptyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111410294

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-pent-3-enylguanidine?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-pent-3-enylguanidine (CID 111587709) is 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-pent-3-enylguanidine.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-pent-3-enylguanidine?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-pent-3-enylguanidine is CC=CCCN/C(=N\C)NCCOc1ccc(OC)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-pent-3-enylguanidine?
The InChIKey is FFVJGPPVFNZUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-5-6-11-18-16(17-2)19-12-13-21-15-9-7-14(20-3)8-10-15/h4-5,7-10H,6,11-13H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-pent-3-enylguanidine?
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-pent-3-enylguanidine has a molecular weight of 291.40 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-pent-3-enylguanidine is sourced from PubChem (CID 111587709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).