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

C13H13ClN2 — CID 5001899

IUPAC3-chloro-N-(2-pyridin-2-ylethyl)aniline
SMILESClc1cccc(NCCc2ccccn2)c1
InChIInChI=1S/C13H13ClN2/c14-11-4-3-6-13(10-11)16-9-7-12-5-1-2-8-15-12/h1-6,8,10,16H,7,9H2
InChIKeyMIVSCJLFCYLECS-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.39
Rot. Bonds4

About 3-chloro-N-(2-pyridin-2-ylethyl)aniline

3-chloro-N-(2-pyridin-2-ylethyl)aniline (PubChem CID 5001899) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 3-chloro-N-(2-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-(2-pyridin-2-ylethyl)aniline
PubChem CID5001899
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name3-chloro-N-(2-pyridin-2-ylethyl)aniline
SMILESClc1cccc(NCCc2ccccn2)c1
InChIInChI=1S/C13H13ClN2/c14-11-4-3-6-13(10-11)16-9-7-12-5-1-2-8-15-12/h1-6,8,10,16H,7,9H2
InChIKeyMIVSCJLFCYLECS-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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Related Compounds

3-(2-pyridin-2-ylethylamino)phenol
CID 15597531
5-chloro-2-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60864899
4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 19432992
3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline
CID 60719749
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 115468470
4-chloro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 28902081
O-(2-pyridin-2-ylethyl) N-(3-chlorophenyl)carbamothioate
CID 44560122
3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141858
2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60721568
4,6-dichloro-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 58508167
2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline
CID 61076812

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-pyridin-2-ylethyl)aniline?
The IUPAC name of 3-chloro-N-(2-pyridin-2-ylethyl)aniline (CID 5001899) is 3-chloro-N-(2-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 3-chloro-N-(2-pyridin-2-ylethyl)aniline?
The canonical SMILES for 3-chloro-N-(2-pyridin-2-ylethyl)aniline is Clc1cccc(NCCc2ccccn2)c1.
What is the InChIKey of 3-chloro-N-(2-pyridin-2-ylethyl)aniline?
The InChIKey is MIVSCJLFCYLECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-11-4-3-6-13(10-11)16-9-7-12-5-1-2-8-15-12/h1-6,8,10,16H,7,9H2.
What are the key properties of 3-chloro-N-(2-pyridin-2-ylethyl)aniline?
3-chloro-N-(2-pyridin-2-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 3-chloro-N-(2-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 5001899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).