1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]pyrrolidine

C19H31NO2 — CID 2296676

IUPAC1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]pyrrolidine
SMILESCc1cc(C(C)(C)C)ccc1OCCOCCN1CCCC1
InChIInChI=1S/C19H31NO2/c1-16-15-17(19(2,3)4)7-8-18(16)22-14-13-21-12-11-20-9-5-6-10-20/h7-8,15H,5-6,9-14H2,1-4H3
InChIKeyZGKPIEFSBDGDCY-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.78
Rot. Bonds7

About 1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]pyrrolidine

1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]pyrrolidine (PubChem CID 2296676) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]pyrrolidine
PubChem CID2296676
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]pyrrolidine
SMILESCc1cc(C(C)(C)C)ccc1OCCOCCN1CCCC1
InChIInChI=1S/C19H31NO2/c1-16-15-17(19(2,3)4)7-8-18(16)22-14-13-21-12-11-20-9-5-6-10-20/h7-8,15H,5-6,9-14H2,1-4H3
InChIKeyZGKPIEFSBDGDCY-UHFFFAOYSA-N
XLogP3.78
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.78
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-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]pyrrolidine (CID 2296676) is 1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]pyrrolidine is Cc1cc(C(C)(C)C)ccc1OCCOCCN1CCCC1.
What is the InChIKey of 1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]pyrrolidine?
The InChIKey is ZGKPIEFSBDGDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-16-15-17(19(2,3)4)7-8-18(16)22-14-13-21-12-11-20-9-5-6-10-20/h7-8,15H,5-6,9-14H2,1-4H3.
What are the key properties of 1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]pyrrolidine?
1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]pyrrolidine has a molecular weight of 305.46 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]pyrrolidine is sourced from PubChem (CID 2296676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).