3-methoxy-2,2,4,4-tetramethyl-5-phenylpyrrolidine

C15H23NO — CID 12707374

IUPAC3-methoxy-2,2,4,4-tetramethyl-5-phenylpyrrolidine
SMILESCOC1C(C)(C)NC(c2ccccc2)C1(C)C
InChIInChI=1S/C15H23NO/c1-14(2)12(11-9-7-6-8-10-11)16-15(3,4)13(14)17-5/h6-10,12-13,16H,1-5H3
InChIKeySYIBYKXFYAXUGH-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.15
Rot. Bonds2

About 3-methoxy-2,2,4,4-tetramethyl-5-phenylpyrrolidine

3-methoxy-2,2,4,4-tetramethyl-5-phenylpyrrolidine (PubChem CID 12707374) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-methoxy-2,2,4,4-tetramethyl-5-phenylpyrrolidine.

Molecular Properties

Compound Name3-methoxy-2,2,4,4-tetramethyl-5-phenylpyrrolidine
PubChem CID12707374
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-methoxy-2,2,4,4-tetramethyl-5-phenylpyrrolidine
SMILESCOC1C(C)(C)NC(c2ccccc2)C1(C)C
InChIInChI=1S/C15H23NO/c1-14(2)12(11-9-7-6-8-10-11)16-15(3,4)13(14)17-5/h6-10,12-13,16H,1-5H3
InChIKeySYIBYKXFYAXUGH-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2,4,4-tetramethyl-5-phenylpyrrolidine?
The IUPAC name of 3-methoxy-2,2,4,4-tetramethyl-5-phenylpyrrolidine (CID 12707374) is 3-methoxy-2,2,4,4-tetramethyl-5-phenylpyrrolidine.
What is the SMILES notation for 3-methoxy-2,2,4,4-tetramethyl-5-phenylpyrrolidine?
The canonical SMILES for 3-methoxy-2,2,4,4-tetramethyl-5-phenylpyrrolidine is COC1C(C)(C)NC(c2ccccc2)C1(C)C.
What is the InChIKey of 3-methoxy-2,2,4,4-tetramethyl-5-phenylpyrrolidine?
The InChIKey is SYIBYKXFYAXUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-14(2)12(11-9-7-6-8-10-11)16-15(3,4)13(14)17-5/h6-10,12-13,16H,1-5H3.
What are the key properties of 3-methoxy-2,2,4,4-tetramethyl-5-phenylpyrrolidine?
3-methoxy-2,2,4,4-tetramethyl-5-phenylpyrrolidine has a molecular weight of 233.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2,4,4-tetramethyl-5-phenylpyrrolidine is sourced from PubChem (CID 12707374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).