1-[2-(4-methoxyphenoxy)ethyl]-1,2-dimethyl-3-prop-2-ynylguanidine

C15H21N3O2 — CID 75421199

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-1,2-dimethyl-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\C)N(C)CCOc1ccc(OC)cc1
InChIInChI=1S/C15H21N3O2/c1-5-10-17-15(16-2)18(3)11-12-20-14-8-6-13(19-4)7-9-14/h1,6-9H,10-12H2,2-4H3,(H,16,17)
InChIKeyMBFPIURTHDSTQK-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.21
Rot. Bonds6

About 1-[2-(4-methoxyphenoxy)ethyl]-1,2-dimethyl-3-prop-2-ynylguanidine

1-[2-(4-methoxyphenoxy)ethyl]-1,2-dimethyl-3-prop-2-ynylguanidine (PubChem CID 75421199) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-1,2-dimethyl-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-1,2-dimethyl-3-prop-2-ynylguanidine
PubChem CID75421199
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-1,2-dimethyl-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\C)N(C)CCOc1ccc(OC)cc1
InChIInChI=1S/C15H21N3O2/c1-5-10-17-15(16-2)18(3)11-12-20-14-8-6-13(19-4)7-9-14/h1,6-9H,10-12H2,2-4H3,(H,16,17)
InChIKeyMBFPIURTHDSTQK-UHFFFAOYSA-N
XLogP1.21
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-1,2-dimethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111984733
3-[(4-methoxyphenyl)methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine;hydroiodide
CID 111273776
1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 111158390
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 112722313
1-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxypropyl)-1,2-dimethylguanidine
CID 111308272
3-[(3-methoxyphenyl)methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine;hydroiodide
CID 111273598
3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-1-[2-(4-methoxyphenoxy)ethyl]-1,2-dimethylguanidine
CID 111517264
1-[2-(4-chlorophenoxy)ethyl]-1,2-dimethyl-3-prop-2-enylguanidine;hydroiodide
CID 111308273
3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine
CID 111273297
1,2-dimethyl-1-(2-phenoxyethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111273421
1-[2-(4-chlorophenoxy)ethyl]-3-[2-(ethylsulfonylamino)ethyl]-1,2-dimethylguanidine
CID 111308154
3-[2-(2-methoxyphenyl)ethyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine;hydroiodide
CID 111274446

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-1,2-dimethyl-3-prop-2-ynylguanidine?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-1,2-dimethyl-3-prop-2-ynylguanidine (CID 75421199) is 1-[2-(4-methoxyphenoxy)ethyl]-1,2-dimethyl-3-prop-2-ynylguanidine.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-1,2-dimethyl-3-prop-2-ynylguanidine?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-1,2-dimethyl-3-prop-2-ynylguanidine is C#CCN/C(=N\C)N(C)CCOc1ccc(OC)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-1,2-dimethyl-3-prop-2-ynylguanidine?
The InChIKey is MBFPIURTHDSTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-10-17-15(16-2)18(3)11-12-20-14-8-6-13(19-4)7-9-14/h1,6-9H,10-12H2,2-4H3,(H,16,17).
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-1,2-dimethyl-3-prop-2-ynylguanidine?
1-[2-(4-methoxyphenoxy)ethyl]-1,2-dimethyl-3-prop-2-ynylguanidine has a molecular weight of 275.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-1,2-dimethyl-3-prop-2-ynylguanidine is sourced from PubChem (CID 75421199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).