1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine

C16H25NO — CID 867345

IUPAC1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine
SMILESCC(C)(C)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C16H25NO/c1-16(2,3)14-6-8-15(9-7-14)18-13-12-17-10-4-5-11-17/h6-9H,4-5,10-13H2,1-3H3
InChIKeyYLNWTFCVXGJXPF-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.46
Rot. Bonds4

About 1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine

1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine (PubChem CID 867345) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine
PubChem CID867345
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine
SMILESCC(C)(C)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C16H25NO/c1-16(2,3)14-6-8-15(9-7-14)18-13-12-17-10-4-5-11-17/h6-9H,4-5,10-13H2,1-3H3
InChIKeyYLNWTFCVXGJXPF-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine (CID 867345) is 1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine is CC(C)(C)c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine?
The InChIKey is YLNWTFCVXGJXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)14-6-8-15(9-7-14)18-13-12-17-10-4-5-11-17/h6-9H,4-5,10-13H2,1-3H3.
What are the key properties of 1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine?
1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine has a molecular weight of 247.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 867345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).