N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine

C13H23NO3 — CID 62444712

IUPACN-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc(COCCOCC)cc1C
InChIInChI=1S/C13H23NO3/c1-4-14-9-13-11(3)8-12(17-13)10-16-7-6-15-5-2/h8,14H,4-7,9-10H2,1-3H3
InChIKeyARMLOFHTDKMYIH-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.25
Rot. Bonds9

About N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine

N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine (PubChem CID 62444712) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine
PubChem CID62444712
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc(COCCOCC)cc1C
InChIInChI=1S/C13H23NO3/c1-4-14-9-13-11(3)8-12(17-13)10-16-7-6-15-5-2/h8,14H,4-7,9-10H2,1-3H3
InChIKeyARMLOFHTDKMYIH-UHFFFAOYSA-N
XLogP2.25
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-methyl-5-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methyl]ethanamine
CID 106449758
N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine
CID 62456796
N-[[3-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine
CID 62460388
N-[[3-methyl-5-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine
CID 62458800
N-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62451338
1-[5-(ethoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62445061
N-[[3-methyl-5-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]ethanamine
CID 62450592
N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62449858
N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62457294
2-methyl-N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62457691
N-[[5-(2-butoxyethoxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62456393
2-methyl-N-[[3-methyl-5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445356

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine (CID 62444712) is N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine is CCNCc1oc(COCCOCC)cc1C.
What is the InChIKey of N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine?
The InChIKey is ARMLOFHTDKMYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-14-9-13-11(3)8-12(17-13)10-16-7-6-15-5-2/h8,14H,4-7,9-10H2,1-3H3.
What are the key properties of N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine?
N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine has a molecular weight of 241.33 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 62444712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).