(2-ethoxy-3-pyridinyl)methanamine

C8H12N2O — CID 16788102

IUPAC(2-ethoxy-3-pyridinyl)methanamine
SMILESCCOc1ncccc1CN
InChIInChI=1S/C8H12N2O/c1-2-11-8-7(6-9)4-3-5-10-8/h3-5H,2,6,9H2,1H3
InChIKeySTCIIFCOOYREBT-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.94
Rot. Bonds3

About (2-ethoxy-3-pyridinyl)methanamine

(2-ethoxy-3-pyridinyl)methanamine (PubChem CID 16788102) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (2-ethoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(2-ethoxy-3-pyridinyl)methanamine
PubChem CID16788102
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(2-ethoxy-3-pyridinyl)methanamine
SMILESCCOc1ncccc1CN
InChIInChI=1S/C8H12N2O/c1-2-11-8-7(6-9)4-3-5-10-8/h3-5H,2,6,9H2,1H3
InChIKeySTCIIFCOOYREBT-UHFFFAOYSA-N
XLogP0.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3-pyridinyl)methanamine?
The IUPAC name of (2-ethoxy-3-pyridinyl)methanamine (CID 16788102) is (2-ethoxy-3-pyridinyl)methanamine.
What is the SMILES notation for (2-ethoxy-3-pyridinyl)methanamine?
The canonical SMILES for (2-ethoxy-3-pyridinyl)methanamine is CCOc1ncccc1CN.
What is the InChIKey of (2-ethoxy-3-pyridinyl)methanamine?
The InChIKey is STCIIFCOOYREBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-11-8-7(6-9)4-3-5-10-8/h3-5H,2,6,9H2,1H3.
What are the key properties of (2-ethoxy-3-pyridinyl)methanamine?
(2-ethoxy-3-pyridinyl)methanamine has a molecular weight of 152.20 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 16788102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).