2-methoxy-N-(pyridin-2-ylmethyl)ethanamine

C9H14N2O — CID 4723821

IUPAC2-methoxy-N-(pyridin-2-ylmethyl)ethanamine
SMILESCOCCNCc1ccccn1
InChIInChI=1S/C9H14N2O/c1-12-7-6-10-8-9-4-2-3-5-11-9/h2-5,10H,6-8H2,1H3
InChIKeyIMHLUDNQZHMEKM-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.82
Rot. Bonds5

About 2-methoxy-N-(pyridin-2-ylmethyl)ethanamine

2-methoxy-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 4723821) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methoxy-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID4723821
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-methoxy-N-(pyridin-2-ylmethyl)ethanamine
SMILESCOCCNCc1ccccn1
InChIInChI=1S/C9H14N2O/c1-12-7-6-10-8-9-4-2-3-5-11-9/h2-5,10H,6-8H2,1H3
InChIKeyIMHLUDNQZHMEKM-UHFFFAOYSA-N
XLogP0.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.82
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-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-(pyridin-2-ylmethyl)ethanamine (CID 4723821) is 2-methoxy-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-(pyridin-2-ylmethyl)ethanamine is COCCNCc1ccccn1.
What is the InChIKey of 2-methoxy-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is IMHLUDNQZHMEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-12-7-6-10-8-9-4-2-3-5-11-9/h2-5,10H,6-8H2,1H3.
What are the key properties of 2-methoxy-N-(pyridin-2-ylmethyl)ethanamine?
2-methoxy-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 166.22 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 4723821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).