6-[1-(2-chlorophenoxy)ethyl]pyridin-2-amine

C13H13ClN2O — CID 67261980

IUPAC6-[1-(2-chlorophenoxy)ethyl]pyridin-2-amine
SMILESCC(Oc1ccccc1Cl)c1cccc(N)n1
InChIInChI=1S/C13H13ClN2O/c1-9(11-6-4-8-13(15)16-11)17-12-7-3-2-5-10(12)14/h2-9H,1H3,(H2,15,16)
InChIKeyZAOVJAOGQPLNMU-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.46
Rot. Bonds3

About 6-[1-(2-chlorophenoxy)ethyl]pyridin-2-amine

6-[1-(2-chlorophenoxy)ethyl]pyridin-2-amine (PubChem CID 67261980) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 6-[1-(2-chlorophenoxy)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[1-(2-chlorophenoxy)ethyl]pyridin-2-amine
PubChem CID67261980
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name6-[1-(2-chlorophenoxy)ethyl]pyridin-2-amine
SMILESCC(Oc1ccccc1Cl)c1cccc(N)n1
InChIInChI=1S/C13H13ClN2O/c1-9(11-6-4-8-13(15)16-11)17-12-7-3-2-5-10(12)14/h2-9H,1H3,(H2,15,16)
InChIKeyZAOVJAOGQPLNMU-UHFFFAOYSA-N
XLogP3.46
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-chlorophenoxy)ethyl]pyridin-2-amine?
The IUPAC name of 6-[1-(2-chlorophenoxy)ethyl]pyridin-2-amine (CID 67261980) is 6-[1-(2-chlorophenoxy)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-[1-(2-chlorophenoxy)ethyl]pyridin-2-amine?
The canonical SMILES for 6-[1-(2-chlorophenoxy)ethyl]pyridin-2-amine is CC(Oc1ccccc1Cl)c1cccc(N)n1.
What is the InChIKey of 6-[1-(2-chlorophenoxy)ethyl]pyridin-2-amine?
The InChIKey is ZAOVJAOGQPLNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9(11-6-4-8-13(15)16-11)17-12-7-3-2-5-10(12)14/h2-9H,1H3,(H2,15,16).
What are the key properties of 6-[1-(2-chlorophenoxy)ethyl]pyridin-2-amine?
6-[1-(2-chlorophenoxy)ethyl]pyridin-2-amine has a molecular weight of 248.71 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-chlorophenoxy)ethyl]pyridin-2-amine is sourced from PubChem (CID 67261980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).