2-[3-[2-(4-chlorophenoxy)-3-pyridinyl]-2-pyridinyl]ethanamine

C18H16ClN3O — CID 68865767

IUPAC2-[3-[2-(4-chlorophenoxy)-3-pyridinyl]-2-pyridinyl]ethanamine
SMILESNCCc1ncccc1-c1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O/c19-13-5-7-14(8-6-13)23-18-16(4-2-12-22-18)15-3-1-11-21-17(15)9-10-20/h1-8,11-12H,9-10,20H2
InChIKeyXXKKOORWFOFCLK-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.09
Rot. Bonds5

About 2-[3-[2-(4-chlorophenoxy)-3-pyridinyl]-2-pyridinyl]ethanamine

2-[3-[2-(4-chlorophenoxy)-3-pyridinyl]-2-pyridinyl]ethanamine (PubChem CID 68865767) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-[3-[2-(4-chlorophenoxy)-3-pyridinyl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[3-[2-(4-chlorophenoxy)-3-pyridinyl]-2-pyridinyl]ethanamine
PubChem CID68865767
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name2-[3-[2-(4-chlorophenoxy)-3-pyridinyl]-2-pyridinyl]ethanamine
SMILESNCCc1ncccc1-c1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O/c19-13-5-7-14(8-6-13)23-18-16(4-2-12-22-18)15-3-1-11-21-17(15)9-10-20/h1-8,11-12H,9-10,20H2
InChIKeyXXKKOORWFOFCLK-UHFFFAOYSA-N
XLogP4.09
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-chlorophenoxy)-3-pyridinyl]-2-pyridinyl]ethanamine?
The IUPAC name of 2-[3-[2-(4-chlorophenoxy)-3-pyridinyl]-2-pyridinyl]ethanamine (CID 68865767) is 2-[3-[2-(4-chlorophenoxy)-3-pyridinyl]-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-[3-[2-(4-chlorophenoxy)-3-pyridinyl]-2-pyridinyl]ethanamine?
The canonical SMILES for 2-[3-[2-(4-chlorophenoxy)-3-pyridinyl]-2-pyridinyl]ethanamine is NCCc1ncccc1-c1cccnc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-[3-[2-(4-chlorophenoxy)-3-pyridinyl]-2-pyridinyl]ethanamine?
The InChIKey is XXKKOORWFOFCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-13-5-7-14(8-6-13)23-18-16(4-2-12-22-18)15-3-1-11-21-17(15)9-10-20/h1-8,11-12H,9-10,20H2.
What are the key properties of 2-[3-[2-(4-chlorophenoxy)-3-pyridinyl]-2-pyridinyl]ethanamine?
2-[3-[2-(4-chlorophenoxy)-3-pyridinyl]-2-pyridinyl]ethanamine has a molecular weight of 325.80 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-chlorophenoxy)-3-pyridinyl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 68865767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).