1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine

C18H23N3O2 — CID 111544367

IUPAC1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC1CCOc2ccccc21
InChIInChI=1S/C18H23N3O2/c1-2-19-18(21-13-15-6-5-10-22-15)20-12-14-9-11-23-17-8-4-3-7-16(14)17/h3-8,10,14H,2,9,11-13H2,1H3,(H2,19,20,21)
InChIKeyTTYWEUBZNUPGOR-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.90
Rot. Bonds5

About 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine (PubChem CID 111544367) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine
PubChem CID111544367
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC1CCOc2ccccc21
InChIInChI=1S/C18H23N3O2/c1-2-19-18(21-13-15-6-5-10-22-15)20-12-14-9-11-23-17-8-4-3-7-16(14)17/h3-8,10,14H,2,9,11-13H2,1H3,(H2,19,20,21)
InChIKeyTTYWEUBZNUPGOR-UHFFFAOYSA-N
XLogP2.90
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.90
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'}

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine
CID 109418056
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111316039
1-ethyl-2-(furan-2-ylmethyl)-3-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110937349
1-ethyl-2-(furan-2-ylmethyl)-3-[(2-phenyloxolan-3-yl)methyl]guanidine;hydroiodide
CID 84585498
1-[(2-tert-butyloxan-3-yl)methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 111624294
1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
1-ethyl-2-(furan-2-ylmethyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine;hydroiodide
CID 110938907
1-(2-cyclopropylethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 111604926
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 110938826
1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938355
1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 116511394

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine (CID 111544367) is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccco1)NCC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine?
The InChIKey is TTYWEUBZNUPGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-19-18(21-13-15-6-5-10-22-15)20-12-14-9-11-23-17-8-4-3-7-16(14)17/h3-8,10,14H,2,9,11-13H2,1H3,(H2,19,20,21).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine?
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine has a molecular weight of 313.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine is sourced from PubChem (CID 111544367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).