2-ethoxy-N-(pyridin-2-ylmethyl)aniline

C14H16N2O — CID 614999

IUPAC2-ethoxy-N-(pyridin-2-ylmethyl)aniline
SMILESCCOc1ccccc1NCc1ccccn1
InChIInChI=1S/C14H16N2O/c1-2-17-14-9-4-3-8-13(14)16-11-12-7-5-6-10-15-12/h3-10,16H,2,11H2,1H3
InChIKeyMTAQYKHJYTUECZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.09
Rot. Bonds5

About 2-ethoxy-N-(pyridin-2-ylmethyl)aniline

2-ethoxy-N-(pyridin-2-ylmethyl)aniline (PubChem CID 614999) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-ethoxy-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-ethoxy-N-(pyridin-2-ylmethyl)aniline
PubChem CID614999
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-ethoxy-N-(pyridin-2-ylmethyl)aniline
SMILESCCOc1ccccc1NCc1ccccn1
InChIInChI=1S/C14H16N2O/c1-2-17-14-9-4-3-8-13(14)16-11-12-7-5-6-10-15-12/h3-10,16H,2,11H2,1H3
InChIKeyMTAQYKHJYTUECZ-UHFFFAOYSA-N
XLogP3.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 2-ethoxy-N-(pyridin-2-ylmethyl)aniline (CID 614999) is 2-ethoxy-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 2-ethoxy-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 2-ethoxy-N-(pyridin-2-ylmethyl)aniline is CCOc1ccccc1NCc1ccccn1.
What is the InChIKey of 2-ethoxy-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is MTAQYKHJYTUECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-17-14-9-4-3-8-13(14)16-11-12-7-5-6-10-15-12/h3-10,16H,2,11H2,1H3.
What are the key properties of 2-ethoxy-N-(pyridin-2-ylmethyl)aniline?
2-ethoxy-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 228.29 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 614999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).