1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-prop-2-ynylguanidine

C15H21N3O — CID 136922921

IUPAC1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/CCc1ccccc1OC)NCC
InChIInChI=1S/C15H21N3O/c1-4-11-17-15(16-5-2)18-12-10-13-8-6-7-9-14(13)19-3/h1,6-9H,5,10-12H2,2-3H3,(H2,16,17,18)
InChIKeyWCGYRKCKYHTUEP-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.43
Rot. Bonds6

About 1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-prop-2-ynylguanidine

1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-prop-2-ynylguanidine (PubChem CID 136922921) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-prop-2-ynylguanidine
PubChem CID136922921
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/CCc1ccccc1OC)NCC
InChIInChI=1S/C15H21N3O/c1-4-11-17-15(16-5-2)18-12-10-13-8-6-7-9-14(13)19-3/h1,6-9H,5,10-12H2,2-3H3,(H2,16,17,18)
InChIKeyWCGYRKCKYHTUEP-UHFFFAOYSA-N
XLogP1.43
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 110913748
1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 110913747
1-ethyl-3-[2-(3-hydroxyphenyl)ethyl]-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 111340973
1-ethyl-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111785270
1-ethyl-2-[2-(2-methylphenoxy)ethyl]-3-prop-2-ynylguanidine
CID 136921987
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111339350
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 110996661
1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine
CID 111614344
1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-(2-propylcyclopropyl)guanidine
CID 111713694
1-ethyl-3-prop-2-ynyl-2-[[2-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111847405
2-(2-butoxyethyl)-1-ethyl-3-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111339946
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-(2-phenylmethoxyethyl)guanidine
CID 111964913

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-prop-2-ynylguanidine?
The IUPAC name of 1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-prop-2-ynylguanidine (CID 136922921) is 1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-prop-2-ynylguanidine.
What is the SMILES notation for 1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-prop-2-ynylguanidine?
The canonical SMILES for 1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-prop-2-ynylguanidine is C#CCN/C(=N/CCc1ccccc1OC)NCC.
What is the InChIKey of 1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-prop-2-ynylguanidine?
The InChIKey is WCGYRKCKYHTUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-11-17-15(16-5-2)18-12-10-13-8-6-7-9-14(13)19-3/h1,6-9H,5,10-12H2,2-3H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-prop-2-ynylguanidine?
1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-prop-2-ynylguanidine has a molecular weight of 259.35 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-prop-2-ynylguanidine is sourced from PubChem (CID 136922921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).