2-methoxy-N-(oxan-4-ylmethyl)ethanamine

C9H19NO2 — CID 62385291

IUPAC2-methoxy-N-(oxan-4-ylmethyl)ethanamine
SMILESCOCCNCC1CCOCC1
InChIInChI=1S/C9H19NO2/c1-11-7-4-10-8-9-2-5-12-6-3-9/h9-10H,2-8H2,1H3
InChIKeyRFPKSVKXVIYDDV-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.65
Rot. Bonds5

About 2-methoxy-N-(oxan-4-ylmethyl)ethanamine

2-methoxy-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 62385291) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-methoxy-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(oxan-4-ylmethyl)ethanamine
PubChem CID62385291
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-methoxy-N-(oxan-4-ylmethyl)ethanamine
SMILESCOCCNCC1CCOCC1
InChIInChI=1S/C9H19NO2/c1-11-7-4-10-8-9-2-5-12-6-3-9/h9-10H,2-8H2,1H3
InChIKeyRFPKSVKXVIYDDV-UHFFFAOYSA-N
XLogP0.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.65
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-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-(oxan-4-ylmethyl)ethanamine (CID 62385291) is 2-methoxy-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-(oxan-4-ylmethyl)ethanamine is COCCNCC1CCOCC1.
What is the InChIKey of 2-methoxy-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is RFPKSVKXVIYDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-11-7-4-10-8-9-2-5-12-6-3-9/h9-10H,2-8H2,1H3.
What are the key properties of 2-methoxy-N-(oxan-4-ylmethyl)ethanamine?
2-methoxy-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 173.26 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 62385291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).