3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine

C13H13ClN2 — CID 44552609

IUPAC3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine
SMILESNc1ncccc1CCc1cccc(Cl)c1
InChIInChI=1S/C13H13ClN2/c14-12-5-1-3-10(9-12)6-7-11-4-2-8-16-13(11)15/h1-5,8-9H,6-7H2,(H2,15,16)
InChIKeyXJCJGDOLNLEZIY-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.10
Rot. Bonds3

About 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine

3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine (PubChem CID 44552609) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine
PubChem CID44552609
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine
SMILESNc1ncccc1CCc1cccc(Cl)c1
InChIInChI=1S/C13H13ClN2/c14-12-5-1-3-10(9-12)6-7-11-4-2-8-16-13(11)15/h1-5,8-9H,6-7H2,(H2,15,16)
InChIKeyXJCJGDOLNLEZIY-UHFFFAOYSA-N
XLogP3.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine (CID 44552609) is 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine is Nc1ncccc1CCc1cccc(Cl)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine?
The InChIKey is XJCJGDOLNLEZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-12-5-1-3-10(9-12)6-7-11-4-2-8-16-13(11)15/h1-5,8-9H,6-7H2,(H2,15,16).
What are the key properties of 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine?
3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine has a molecular weight of 232.71 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 44552609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).