2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine

C18H26N4O2 — CID 111187861

IUPAC2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(=N\Cc1cc2ccccc2o1)NCCN1CCOCC1
InChIInChI=1S/C18H26N4O2/c1-2-19-18(20-7-8-22-9-11-23-12-10-22)21-14-16-13-15-5-3-4-6-17(15)24-16/h3-6,13H,2,7-12,14H2,1H3,(H2,19,20,21)
InChIKeyUKUWVYWDAVCUAN-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.82
Rot. Bonds6

About 2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine

2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine (PubChem CID 111187861) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
PubChem CID111187861
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(=N\Cc1cc2ccccc2o1)NCCN1CCOCC1
InChIInChI=1S/C18H26N4O2/c1-2-19-18(20-7-8-22-9-11-23-12-10-22)21-14-16-13-15-5-3-4-6-17(15)24-16/h3-6,13H,2,7-12,14H2,1H3,(H2,19,20,21)
InChIKeyUKUWVYWDAVCUAN-UHFFFAOYSA-N
XLogP1.82
TPSA62.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
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

2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 110953548
2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 110953547
1-ethyl-2-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 110938057
1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111188097
2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-[3-(2-oxoazepan-1-yl)propyl]guanidine
CID 111348328
2-[[2-(azepan-1-ylmethyl)phenyl]methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111755236
2-[[2-(ethoxymethyl)phenyl]methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 71876082
2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110979840
2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111645528
1-ethyl-3-(2-morpholin-4-ylethyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111584546
2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111261600
2-benzyl-1-ethyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 110952780

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine (CID 111187861) is 2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine is CCN/C(=N\Cc1cc2ccccc2o1)NCCN1CCOCC1.
What is the InChIKey of 2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is UKUWVYWDAVCUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-2-19-18(20-7-8-22-9-11-23-12-10-22)21-14-16-13-15-5-3-4-6-17(15)24-16/h3-6,13H,2,7-12,14H2,1H3,(H2,19,20,21).
What are the key properties of 2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine?
2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 330.43 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 111187861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).