3-(2-pyridin-4-ylethyl)aniline

C13H14N2 — CID 5200230

IUPAC3-(2-pyridin-4-ylethyl)aniline
SMILESNc1cccc(CCc2ccncc2)c1
InChIInChI=1S/C13H14N2/c14-13-3-1-2-12(10-13)5-4-11-6-8-15-9-7-11/h1-3,6-10H,4-5,14H2
InChIKeyKFJRPNNTWKWJHB-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.45
Rot. Bonds3

About 3-(2-pyridin-4-ylethyl)aniline

3-(2-pyridin-4-ylethyl)aniline (PubChem CID 5200230) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name3-(2-pyridin-4-ylethyl)aniline
PubChem CID5200230
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name3-(2-pyridin-4-ylethyl)aniline
SMILESNc1cccc(CCc2ccncc2)c1
InChIInChI=1S/C13H14N2/c14-13-3-1-2-12(10-13)5-4-11-6-8-15-9-7-11/h1-3,6-10H,4-5,14H2
InChIKeyKFJRPNNTWKWJHB-UHFFFAOYSA-N
XLogP2.45
TPSA38.91 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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 3-(2-pyridin-4-ylethyl)aniline (CID 5200230) is 3-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 3-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 3-(2-pyridin-4-ylethyl)aniline is Nc1cccc(CCc2ccncc2)c1.
What is the InChIKey of 3-(2-pyridin-4-ylethyl)aniline?
The InChIKey is KFJRPNNTWKWJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c14-13-3-1-2-12(10-13)5-4-11-6-8-15-9-7-11/h1-3,6-10H,4-5,14H2.
What are the key properties of 3-(2-pyridin-4-ylethyl)aniline?
3-(2-pyridin-4-ylethyl)aniline has a molecular weight of 198.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 5200230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).