2-methyl-1-(2-phenylmethoxyethyl)-5-propan-2-ylpyrrolidine

C17H27NO — CID 76533041

IUPAC2-methyl-1-(2-phenylmethoxyethyl)-5-propan-2-ylpyrrolidine
SMILESCC(C)C1CCC(C)N1CCOCc1ccccc1
InChIInChI=1S/C17H27NO/c1-14(2)17-10-9-15(3)18(17)11-12-19-13-16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3
InChIKeyCQOJSLNBXNHYCL-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.71
Rot. Bonds6

About 2-methyl-1-(2-phenylmethoxyethyl)-5-propan-2-ylpyrrolidine

2-methyl-1-(2-phenylmethoxyethyl)-5-propan-2-ylpyrrolidine (PubChem CID 76533041) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-1-(2-phenylmethoxyethyl)-5-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-methyl-1-(2-phenylmethoxyethyl)-5-propan-2-ylpyrrolidine
PubChem CID76533041
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-methyl-1-(2-phenylmethoxyethyl)-5-propan-2-ylpyrrolidine
SMILESCC(C)C1CCC(C)N1CCOCc1ccccc1
InChIInChI=1S/C17H27NO/c1-14(2)17-10-9-15(3)18(17)11-12-19-13-16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3
InChIKeyCQOJSLNBXNHYCL-UHFFFAOYSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-methyl-1-(2-phenylmethoxyethyl)-5-propan-2-ylpyrrolidine?
The IUPAC name of 2-methyl-1-(2-phenylmethoxyethyl)-5-propan-2-ylpyrrolidine (CID 76533041) is 2-methyl-1-(2-phenylmethoxyethyl)-5-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-methyl-1-(2-phenylmethoxyethyl)-5-propan-2-ylpyrrolidine?
The canonical SMILES for 2-methyl-1-(2-phenylmethoxyethyl)-5-propan-2-ylpyrrolidine is CC(C)C1CCC(C)N1CCOCc1ccccc1.
What is the InChIKey of 2-methyl-1-(2-phenylmethoxyethyl)-5-propan-2-ylpyrrolidine?
The InChIKey is CQOJSLNBXNHYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)17-10-9-15(3)18(17)11-12-19-13-16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3.
What are the key properties of 2-methyl-1-(2-phenylmethoxyethyl)-5-propan-2-ylpyrrolidine?
2-methyl-1-(2-phenylmethoxyethyl)-5-propan-2-ylpyrrolidine has a molecular weight of 261.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenylmethoxyethyl)-5-propan-2-ylpyrrolidine is sourced from PubChem (CID 76533041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).