N-(1-pyridin-3-ylethyl)aniline

C13H14N2 — CID 2772040

IUPACN-(1-pyridin-3-ylethyl)aniline
SMILESCC(Nc1ccccc1)c1cccnc1
InChIInChI=1S/C13H14N2/c1-11(12-6-5-9-14-10-12)15-13-7-3-2-4-8-13/h2-11,15H,1H3
InChIKeyHLOSIEUNEDTQHV-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.25
Rot. Bonds3

About N-(1-pyridin-3-ylethyl)aniline

N-(1-pyridin-3-ylethyl)aniline (PubChem CID 2772040) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(1-pyridin-3-ylethyl)aniline.

Molecular Properties

Compound NameN-(1-pyridin-3-ylethyl)aniline
PubChem CID2772040
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC NameN-(1-pyridin-3-ylethyl)aniline
SMILESCC(Nc1ccccc1)c1cccnc1
InChIInChI=1S/C13H14N2/c1-11(12-6-5-9-14-10-12)15-13-7-3-2-4-8-13/h2-11,15H,1H3
InChIKeyHLOSIEUNEDTQHV-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylethyl)aniline?
The IUPAC name of N-(1-pyridin-3-ylethyl)aniline (CID 2772040) is N-(1-pyridin-3-ylethyl)aniline.
What is the SMILES notation for N-(1-pyridin-3-ylethyl)aniline?
The canonical SMILES for N-(1-pyridin-3-ylethyl)aniline is CC(Nc1ccccc1)c1cccnc1.
What is the InChIKey of N-(1-pyridin-3-ylethyl)aniline?
The InChIKey is HLOSIEUNEDTQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-11(12-6-5-9-14-10-12)15-13-7-3-2-4-8-13/h2-11,15H,1H3.
What are the key properties of N-(1-pyridin-3-ylethyl)aniline?
N-(1-pyridin-3-ylethyl)aniline has a molecular weight of 198.27 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylethyl)aniline is sourced from PubChem (CID 2772040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).