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

C9H15NO2 — CID 4777616

IUPAC2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCOCCNCc1ccc(C)o1
InChIInChI=1S/C9H15NO2/c1-8-3-4-9(12-8)7-10-5-6-11-2/h3-4,10H,5-7H2,1-2H3
InChIKeyOBHOPNYPKFBIPH-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.32
Rot. Bonds5

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

2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 4777616) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID4777616
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCOCCNCc1ccc(C)o1
InChIInChI=1S/C9H15NO2/c1-8-3-4-9(12-8)7-10-5-6-11-2/h3-4,10H,5-7H2,1-2H3
InChIKeyOBHOPNYPKFBIPH-UHFFFAOYSA-N
XLogP1.32
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.32
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine (CID 4777616) is 2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine is COCCNCc1ccc(C)o1.
What is the InChIKey of 2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is OBHOPNYPKFBIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8-3-4-9(12-8)7-10-5-6-11-2/h3-4,10H,5-7H2,1-2H3.
What are the key properties of 2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine?
2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 169.22 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 4777616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).