1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-prop-2-ynylguanidine

C15H21N3O2 — CID 111682632

IUPAC1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\C)NCC(C)Oc1ccccc1OC
InChIInChI=1S/C15H21N3O2/c1-5-10-17-15(16-3)18-11-12(2)20-14-9-7-6-8-13(14)19-4/h1,6-9,12H,10-11H2,2-4H3,(H2,16,17,18)
InChIKeyRSKMSCKFWDYCEF-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.26
Rot. Bonds6

About 1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-prop-2-ynylguanidine

1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-prop-2-ynylguanidine (PubChem CID 111682632) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-prop-2-ynylguanidine
PubChem CID111682632
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\C)NCC(C)Oc1ccccc1OC
InChIInChI=1S/C15H21N3O2/c1-5-10-17-15(16-3)18-11-12(2)20-14-9-7-6-8-13(14)19-4/h1,6-9,12H,10-11H2,2-4H3,(H2,16,17,18)
InChIKeyRSKMSCKFWDYCEF-UHFFFAOYSA-N
XLogP1.26
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
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-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 75494544
1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111502959
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111503327
1-[2-(2-methoxyphenoxy)propyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 111494446
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111682641
1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-prop-2-ynylguanidine
CID 111678080
1-butan-2-yl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111492013
1-[(4-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111502911
1-(5-methoxypentyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111682876
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111503189
1-[2-(dimethylamino)-2-methylpropyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111682643
1-[(5-ethylthiophen-2-yl)methyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111683452

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-prop-2-ynylguanidine?
The IUPAC name of 1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-prop-2-ynylguanidine (CID 111682632) is 1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-prop-2-ynylguanidine.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-prop-2-ynylguanidine?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-prop-2-ynylguanidine is C#CCN/C(=N\C)NCC(C)Oc1ccccc1OC.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-prop-2-ynylguanidine?
The InChIKey is RSKMSCKFWDYCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-10-17-15(16-3)18-11-12(2)20-14-9-7-6-8-13(14)19-4/h1,6-9,12H,10-11H2,2-4H3,(H2,16,17,18).
What are the key properties of 1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-prop-2-ynylguanidine?
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-prop-2-ynylguanidine has a molecular weight of 275.35 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-prop-2-ynylguanidine is sourced from PubChem (CID 111682632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).