2-chloro-N-(2-pyridin-4-ylethyl)aniline

C13H13ClN2 — CID 45156427

IUPAC2-chloro-N-(2-pyridin-4-ylethyl)aniline
SMILESClc1ccccc1NCCc1ccncc1
InChIInChI=1S/C13H13ClN2/c14-12-3-1-2-4-13(12)16-10-7-11-5-8-15-9-6-11/h1-6,8-9,16H,7,10H2
InChIKeyOAHYZEUAPQYDTP-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.39
Rot. Bonds4

About 2-chloro-N-(2-pyridin-4-ylethyl)aniline

2-chloro-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 45156427) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-chloro-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(2-pyridin-4-ylethyl)aniline
PubChem CID45156427
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name2-chloro-N-(2-pyridin-4-ylethyl)aniline
SMILESClc1ccccc1NCCc1ccncc1
InChIInChI=1S/C13H13ClN2/c14-12-3-1-2-4-13(12)16-10-7-11-5-8-15-9-6-11/h1-6,8-9,16H,7,10H2
InChIKeyOAHYZEUAPQYDTP-UHFFFAOYSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 2-chloro-N-(2-pyridin-4-ylethyl)aniline (CID 45156427) is 2-chloro-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2-chloro-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2-chloro-N-(2-pyridin-4-ylethyl)aniline is Clc1ccccc1NCCc1ccncc1.
What is the InChIKey of 2-chloro-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is OAHYZEUAPQYDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-12-3-1-2-4-13(12)16-10-7-11-5-8-15-9-6-11/h1-6,8-9,16H,7,10H2.
What are the key properties of 2-chloro-N-(2-pyridin-4-ylethyl)aniline?
2-chloro-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 232.71 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 45156427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).