1-phenyl-N-(pyridin-3-ylmethyl)ethanamine

C14H16N2 — CID 2760379

IUPAC1-phenyl-N-(pyridin-3-ylmethyl)ethanamine
SMILESCC(NCc1cccnc1)c1ccccc1
InChIInChI=1S/C14H16N2/c1-12(14-7-3-2-4-8-14)16-11-13-6-5-9-15-10-13/h2-10,12,16H,11H2,1H3
InChIKeyQEPYRJGFVSHVHM-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.93
Rot. Bonds4

About 1-phenyl-N-(pyridin-3-ylmethyl)ethanamine

1-phenyl-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 2760379) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-phenyl-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-phenyl-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID2760379
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1-phenyl-N-(pyridin-3-ylmethyl)ethanamine
SMILESCC(NCc1cccnc1)c1ccccc1
InChIInChI=1S/C14H16N2/c1-12(14-7-3-2-4-8-14)16-11-13-6-5-9-15-10-13/h2-10,12,16H,11H2,1H3
InChIKeyQEPYRJGFVSHVHM-UHFFFAOYSA-N
XLogP2.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-phenyl-N-(pyridin-3-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 1-phenyl-N-(pyridin-3-ylmethyl)ethanamine (CID 2760379) is 1-phenyl-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-phenyl-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-phenyl-N-(pyridin-3-ylmethyl)ethanamine is CC(NCc1cccnc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is QEPYRJGFVSHVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-12(14-7-3-2-4-8-14)16-11-13-6-5-9-15-10-13/h2-10,12,16H,11H2,1H3.
What are the key properties of 1-phenyl-N-(pyridin-3-ylmethyl)ethanamine?
1-phenyl-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 212.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 2760379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).