1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]pyrrolidine

C16H25NO — CID 803034

IUPAC1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]pyrrolidine
SMILESCc1ccc(C(C)C)cc1OCCN1CCCC1
InChIInChI=1S/C16H25NO/c1-13(2)15-7-6-14(3)16(12-15)18-11-10-17-8-4-5-9-17/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyWXJQPCRWHIIFSP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.59
Rot. Bonds5

About 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]pyrrolidine

1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]pyrrolidine (PubChem CID 803034) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]pyrrolidine
PubChem CID803034
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]pyrrolidine
SMILESCc1ccc(C(C)C)cc1OCCN1CCCC1
InChIInChI=1S/C16H25NO/c1-13(2)15-7-6-14(3)16(12-15)18-11-10-17-8-4-5-9-17/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyWXJQPCRWHIIFSP-UHFFFAOYSA-N
XLogP3.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]pyrrolidine (CID 803034) is 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]pyrrolidine is Cc1ccc(C(C)C)cc1OCCN1CCCC1.
What is the InChIKey of 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]pyrrolidine?
The InChIKey is WXJQPCRWHIIFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)15-7-6-14(3)16(12-15)18-11-10-17-8-4-5-9-17/h6-7,12-13H,4-5,8-11H2,1-3H3.
What are the key properties of 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]pyrrolidine?
1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]pyrrolidine has a molecular weight of 247.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 803034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).