1-[2-(2-methylphenoxy)ethyl]pyrrolidine

C13H19NO — CID 868356

IUPAC1-[2-(2-methylphenoxy)ethyl]pyrrolidine
SMILESCc1ccccc1OCCN1CCCC1
InChIInChI=1S/C13H19NO/c1-12-6-2-3-7-13(12)15-11-10-14-8-4-5-9-14/h2-3,6-7H,4-5,8-11H2,1H3
InChIKeyYAARYBBZQCVAQK-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.47
Rot. Bonds4

About 1-[2-(2-methylphenoxy)ethyl]pyrrolidine

1-[2-(2-methylphenoxy)ethyl]pyrrolidine (PubChem CID 868356) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[2-(2-methylphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(2-methylphenoxy)ethyl]pyrrolidine
PubChem CID868356
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[2-(2-methylphenoxy)ethyl]pyrrolidine
SMILESCc1ccccc1OCCN1CCCC1
InChIInChI=1S/C13H19NO/c1-12-6-2-3-7-13(12)15-11-10-14-8-4-5-9-14/h2-3,6-7H,4-5,8-11H2,1H3
InChIKeyYAARYBBZQCVAQK-UHFFFAOYSA-N
XLogP2.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(2-methylphenoxy)ethyl]pyrrolidine (CID 868356) is 1-[2-(2-methylphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(2-methylphenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(2-methylphenoxy)ethyl]pyrrolidine is Cc1ccccc1OCCN1CCCC1.
What is the InChIKey of 1-[2-(2-methylphenoxy)ethyl]pyrrolidine?
The InChIKey is YAARYBBZQCVAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-12-6-2-3-7-13(12)15-11-10-14-8-4-5-9-14/h2-3,6-7H,4-5,8-11H2,1H3.
What are the key properties of 1-[2-(2-methylphenoxy)ethyl]pyrrolidine?
1-[2-(2-methylphenoxy)ethyl]pyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 868356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).