2-(4-ethoxyphenyl)-2-methylpyrrolidine

C13H19NO — CID 66467822

IUPAC2-(4-ethoxyphenyl)-2-methylpyrrolidine
SMILESCCOc1ccc(C2(C)CCCN2)cc1
InChIInChI=1S/C13H19NO/c1-3-15-12-7-5-11(6-8-12)13(2)9-4-10-14-13/h5-8,14H,3-4,9-10H2,1-2H3
InChIKeyRNTIYMCRYSKZEP-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.68
Rot. Bonds3

About 2-(4-ethoxyphenyl)-2-methylpyrrolidine

2-(4-ethoxyphenyl)-2-methylpyrrolidine (PubChem CID 66467822) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2-methylpyrrolidine
PubChem CID66467822
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(4-ethoxyphenyl)-2-methylpyrrolidine
SMILESCCOc1ccc(C2(C)CCCN2)cc1
InChIInChI=1S/C13H19NO/c1-3-15-12-7-5-11(6-8-12)13(2)9-4-10-14-13/h5-8,14H,3-4,9-10H2,1-2H3
InChIKeyRNTIYMCRYSKZEP-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(4-ethoxyphenyl)-2-methylpyrrolidine (CID 66467822) is 2-(4-ethoxyphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(4-ethoxyphenyl)-2-methylpyrrolidine is CCOc1ccc(C2(C)CCCN2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2-methylpyrrolidine?
The InChIKey is RNTIYMCRYSKZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-15-12-7-5-11(6-8-12)13(2)9-4-10-14-13/h5-8,14H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-2-methylpyrrolidine?
2-(4-ethoxyphenyl)-2-methylpyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 66467822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).