6-(4-butan-2-ylphenoxy)-N-ethylpyridin-2-amine

C17H22N2O — CID 107669557

IUPAC6-(4-butan-2-ylphenoxy)-N-ethylpyridin-2-amine
SMILESCCNc1cccc(Oc2ccc(C(C)CC)cc2)n1
InChIInChI=1S/C17H22N2O/c1-4-13(3)14-9-11-15(12-10-14)20-17-8-6-7-16(19-17)18-5-2/h6-13H,4-5H2,1-3H3,(H,18,19)
InChIKeyYWBDXFVJDCTAHX-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.82
Rot. Bonds6

About 6-(4-butan-2-ylphenoxy)-N-ethylpyridin-2-amine

6-(4-butan-2-ylphenoxy)-N-ethylpyridin-2-amine (PubChem CID 107669557) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-(4-butan-2-ylphenoxy)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-(4-butan-2-ylphenoxy)-N-ethylpyridin-2-amine
PubChem CID107669557
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name6-(4-butan-2-ylphenoxy)-N-ethylpyridin-2-amine
SMILESCCNc1cccc(Oc2ccc(C(C)CC)cc2)n1
InChIInChI=1S/C17H22N2O/c1-4-13(3)14-9-11-15(12-10-14)20-17-8-6-7-16(19-17)18-5-2/h6-13H,4-5H2,1-3H3,(H,18,19)
InChIKeyYWBDXFVJDCTAHX-UHFFFAOYSA-N
XLogP4.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-butan-2-ylphenoxy)-N-ethylpyridin-2-amine?
The IUPAC name of 6-(4-butan-2-ylphenoxy)-N-ethylpyridin-2-amine (CID 107669557) is 6-(4-butan-2-ylphenoxy)-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-(4-butan-2-ylphenoxy)-N-ethylpyridin-2-amine?
The canonical SMILES for 6-(4-butan-2-ylphenoxy)-N-ethylpyridin-2-amine is CCNc1cccc(Oc2ccc(C(C)CC)cc2)n1.
What is the InChIKey of 6-(4-butan-2-ylphenoxy)-N-ethylpyridin-2-amine?
The InChIKey is YWBDXFVJDCTAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-13(3)14-9-11-15(12-10-14)20-17-8-6-7-16(19-17)18-5-2/h6-13H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 6-(4-butan-2-ylphenoxy)-N-ethylpyridin-2-amine?
6-(4-butan-2-ylphenoxy)-N-ethylpyridin-2-amine has a molecular weight of 270.38 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butan-2-ylphenoxy)-N-ethylpyridin-2-amine is sourced from PubChem (CID 107669557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).