4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine

C13H23NO2 — CID 115697359

IUPAC4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine
SMILESCCOCCCCNCc1ccc(CC)o1
InChIInChI=1S/C13H23NO2/c1-3-12-7-8-13(16-12)11-14-9-5-6-10-15-4-2/h7-8,14H,3-6,9-11H2,1-2H3
InChIKeyYKWBJLBNNYZJMT-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.75
Rot. Bonds9

About 4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine

4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine (PubChem CID 115697359) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine
PubChem CID115697359
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine
SMILESCCOCCCCNCc1ccc(CC)o1
InChIInChI=1S/C13H23NO2/c1-3-12-7-8-13(16-12)11-14-9-5-6-10-15-4-2/h7-8,14H,3-6,9-11H2,1-2H3
InChIKeyYKWBJLBNNYZJMT-UHFFFAOYSA-N
XLogP2.75
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride
CID 115584528
3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol
CID 62346673
3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 43765268
2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol
CID 62347388
2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine
CID 115770524
N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115699316
3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 114136736
6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol
CID 115697548
methyl 5-[[4-(2-methoxyethoxy)butylamino]methyl]furan-2-carboxylate
CID 115905245
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine
CID 82940790
N-[(4-bromophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584489
3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 115572603

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine (CID 115697359) is 4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine is CCOCCCCNCc1ccc(CC)o1.
What is the InChIKey of 4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine?
The InChIKey is YKWBJLBNNYZJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-12-7-8-13(16-12)11-14-9-5-6-10-15-4-2/h7-8,14H,3-6,9-11H2,1-2H3.
What are the key properties of 4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine?
4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 115697359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).