2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine

C19H27N3O3 — CID 111366475

IUPAC2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
SMILESCCN/C(=N\Cc1ccc(O)c(OCC)c1)NC(C)c1ccc(C)o1
InChIInChI=1S/C19H27N3O3/c1-5-20-19(22-14(4)17-10-7-13(3)25-17)21-12-15-8-9-16(23)18(11-15)24-6-2/h7-11,14,23H,5-6,12H2,1-4H3,(H2,20,21,22)
InChIKeyUYVNFYJBFRMXJI-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.51
Rot. Bonds7

About 2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine

2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine (PubChem CID 111366475) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
PubChem CID111366475
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
SMILESCCN/C(=N\Cc1ccc(O)c(OCC)c1)NC(C)c1ccc(C)o1
InChIInChI=1S/C19H27N3O3/c1-5-20-19(22-14(4)17-10-7-13(3)25-17)21-12-15-8-9-16(23)18(11-15)24-6-2/h7-11,14,23H,5-6,12H2,1-4H3,(H2,20,21,22)
InChIKeyUYVNFYJBFRMXJI-UHFFFAOYSA-N
XLogP3.51
TPSA79.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide
CID 111366562
1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]-2-[(3-nitrophenyl)methyl]guanidine
CID 111366543
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-ethyl-3-propan-2-ylguanidine
CID 111780475
2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-ethyl-3-[(2-ethylphenyl)methyl]guanidine;hydroiodide
CID 111988010
2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
CID 111499651
2-[(4-ethoxy-3-methoxyphenyl)methyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111000326
1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]-2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111517473
1-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methyl]-3-[1-(2-methoxy-5-methylphenyl)ethyl]guanidine
CID 111386334
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111987838
2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-ethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 111987801
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-diethylguanidine
CID 111335902
1-butan-2-yl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-ethylguanidine
CID 110943262

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine?
The IUPAC name of 2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine (CID 111366475) is 2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine.
What is the SMILES notation for 2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine?
The canonical SMILES for 2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine is CCN/C(=N\Cc1ccc(O)c(OCC)c1)NC(C)c1ccc(C)o1.
What is the InChIKey of 2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine?
The InChIKey is UYVNFYJBFRMXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-5-20-19(22-14(4)17-10-7-13(3)25-17)21-12-15-8-9-16(23)18(11-15)24-6-2/h7-11,14,23H,5-6,12H2,1-4H3,(H2,20,21,22).
What are the key properties of 2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine?
2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine has a molecular weight of 345.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine is sourced from PubChem (CID 111366475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).