2-(4-butylphenoxy)-2-pyridin-2-ylethanamine

C17H22N2O — CID 115492282

IUPAC2-(4-butylphenoxy)-2-pyridin-2-ylethanamine
SMILESCCCCc1ccc(OC(CN)c2ccccn2)cc1
InChIInChI=1S/C17H22N2O/c1-2-3-6-14-8-10-15(11-9-14)20-17(13-18)16-7-4-5-12-19-16/h4-5,7-12,17H,2-3,6,13,18H2,1H3
InChIKeyKKMUFYQPYIXOST-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.50
Rot. Bonds7

About 2-(4-butylphenoxy)-2-pyridin-2-ylethanamine

2-(4-butylphenoxy)-2-pyridin-2-ylethanamine (PubChem CID 115492282) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(4-butylphenoxy)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2-(4-butylphenoxy)-2-pyridin-2-ylethanamine
PubChem CID115492282
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(4-butylphenoxy)-2-pyridin-2-ylethanamine
SMILESCCCCc1ccc(OC(CN)c2ccccn2)cc1
InChIInChI=1S/C17H22N2O/c1-2-3-6-14-8-10-15(11-9-14)20-17(13-18)16-7-4-5-12-19-16/h4-5,7-12,17H,2-3,6,13,18H2,1H3
InChIKeyKKMUFYQPYIXOST-UHFFFAOYSA-N
XLogP3.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-butylphenoxy)-2-pyridin-2-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenoxy)-2-pyridin-2-ylethanamine?
The IUPAC name of 2-(4-butylphenoxy)-2-pyridin-2-ylethanamine (CID 115492282) is 2-(4-butylphenoxy)-2-pyridin-2-ylethanamine.
What is the SMILES notation for 2-(4-butylphenoxy)-2-pyridin-2-ylethanamine?
The canonical SMILES for 2-(4-butylphenoxy)-2-pyridin-2-ylethanamine is CCCCc1ccc(OC(CN)c2ccccn2)cc1.
What is the InChIKey of 2-(4-butylphenoxy)-2-pyridin-2-ylethanamine?
The InChIKey is KKMUFYQPYIXOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-3-6-14-8-10-15(11-9-14)20-17(13-18)16-7-4-5-12-19-16/h4-5,7-12,17H,2-3,6,13,18H2,1H3.
What are the key properties of 2-(4-butylphenoxy)-2-pyridin-2-ylethanamine?
2-(4-butylphenoxy)-2-pyridin-2-ylethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenoxy)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 115492282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).