2-tert-butyl-5-(2-phenylethoxy)pyridine

C17H21NO — CID 20709511

IUPAC2-tert-butyl-5-(2-phenylethoxy)pyridine
SMILESCC(C)(C)c1ccc(OCCc2ccccc2)cn1
InChIInChI=1S/C17H21NO/c1-17(2,3)16-10-9-15(13-18-16)19-12-11-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3
InChIKeyCPZQPDBZYCCQDT-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.00
Rot. Bonds4

About 2-tert-butyl-5-(2-phenylethoxy)pyridine

2-tert-butyl-5-(2-phenylethoxy)pyridine (PubChem CID 20709511) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-phenylethoxy)pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-(2-phenylethoxy)pyridine
PubChem CID20709511
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-tert-butyl-5-(2-phenylethoxy)pyridine
SMILESCC(C)(C)c1ccc(OCCc2ccccc2)cn1
InChIInChI=1S/C17H21NO/c1-17(2,3)16-10-9-15(13-18-16)19-12-11-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3
InChIKeyCPZQPDBZYCCQDT-UHFFFAOYSA-N
XLogP4.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-phenylethoxy)pyridine?
The IUPAC name of 2-tert-butyl-5-(2-phenylethoxy)pyridine (CID 20709511) is 2-tert-butyl-5-(2-phenylethoxy)pyridine.
What is the SMILES notation for 2-tert-butyl-5-(2-phenylethoxy)pyridine?
The canonical SMILES for 2-tert-butyl-5-(2-phenylethoxy)pyridine is CC(C)(C)c1ccc(OCCc2ccccc2)cn1.
What is the InChIKey of 2-tert-butyl-5-(2-phenylethoxy)pyridine?
The InChIKey is CPZQPDBZYCCQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-17(2,3)16-10-9-15(13-18-16)19-12-11-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(2-phenylethoxy)pyridine?
2-tert-butyl-5-(2-phenylethoxy)pyridine has a molecular weight of 255.36 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-phenylethoxy)pyridine is sourced from PubChem (CID 20709511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).