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

C18H29NO2 — CID 2300063

IUPAC1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]pyrrolidine
SMILESCc1ccc(C(C)C)cc1OCCOCCN1CCCC1
InChIInChI=1S/C18H29NO2/c1-15(2)17-7-6-16(3)18(14-17)21-13-12-20-11-10-19-8-4-5-9-19/h6-7,14-15H,4-5,8-13H2,1-3H3
InChIKeyPIUWHSYGOKWZOL-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.61
Rot. Bonds8

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

1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]pyrrolidine (PubChem CID 2300063) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]pyrrolidine
PubChem CID2300063
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]pyrrolidine
SMILESCc1ccc(C(C)C)cc1OCCOCCN1CCCC1
InChIInChI=1S/C18H29NO2/c1-15(2)17-7-6-16(3)18(14-17)21-13-12-20-11-10-19-8-4-5-9-19/h6-7,14-15H,4-5,8-13H2,1-3H3
InChIKeyPIUWHSYGOKWZOL-UHFFFAOYSA-N
XLogP3.61
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]pyrrolidine (CID 2300063) is 1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]pyrrolidine is Cc1ccc(C(C)C)cc1OCCOCCN1CCCC1.
What is the InChIKey of 1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]pyrrolidine?
The InChIKey is PIUWHSYGOKWZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15(2)17-7-6-16(3)18(14-17)21-13-12-20-11-10-19-8-4-5-9-19/h6-7,14-15H,4-5,8-13H2,1-3H3.
What are the key properties of 1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]pyrrolidine?
1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]pyrrolidine has a molecular weight of 291.44 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]pyrrolidine is sourced from PubChem (CID 2300063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).