N-[2-(5-methylfuran-2-yl)ethoxy]methanamine

C8H13NO2 — CID 117126878

IUPACN-[2-(5-methylfuran-2-yl)ethoxy]methanamine
SMILESCNOCCc1ccc(C)o1
InChIInChI=1S/C8H13NO2/c1-7-3-4-8(11-7)5-6-10-9-2/h3-4,9H,5-6H2,1-2H3
InChIKeyDDPJAKUESIUQJZ-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.28
Rot. Bonds4

About N-[2-(5-methylfuran-2-yl)ethoxy]methanamine

N-[2-(5-methylfuran-2-yl)ethoxy]methanamine (PubChem CID 117126878) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)ethoxy]methanamine.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)ethoxy]methanamine
PubChem CID117126878
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-[2-(5-methylfuran-2-yl)ethoxy]methanamine
SMILESCNOCCc1ccc(C)o1
InChIInChI=1S/C8H13NO2/c1-7-3-4-8(11-7)5-6-10-9-2/h3-4,9H,5-6H2,1-2H3
InChIKeyDDPJAKUESIUQJZ-UHFFFAOYSA-N
XLogP1.28
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)ethoxy]methanamine?
The IUPAC name of N-[2-(5-methylfuran-2-yl)ethoxy]methanamine (CID 117126878) is N-[2-(5-methylfuran-2-yl)ethoxy]methanamine.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)ethoxy]methanamine?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)ethoxy]methanamine is CNOCCc1ccc(C)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)ethoxy]methanamine?
The InChIKey is DDPJAKUESIUQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7-3-4-8(11-7)5-6-10-9-2/h3-4,9H,5-6H2,1-2H3.
What are the key properties of N-[2-(5-methylfuran-2-yl)ethoxy]methanamine?
N-[2-(5-methylfuran-2-yl)ethoxy]methanamine has a molecular weight of 155.20 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)ethoxy]methanamine is sourced from PubChem (CID 117126878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).