2-tert-butyl-1-ethyl-5-phenylpyrrolidine

C16H25N — CID 70876764

IUPAC2-tert-butyl-1-ethyl-5-phenylpyrrolidine
SMILESCCN1C(c2ccccc2)CCC1C(C)(C)C
InChIInChI=1S/C16H25N/c1-5-17-14(13-9-7-6-8-10-13)11-12-15(17)16(2,3)4/h6-10,14-15H,5,11-12H2,1-4H3
InChIKeyUVZIVZJMGMFBKP-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.26
Rot. Bonds2

About 2-tert-butyl-1-ethyl-5-phenylpyrrolidine

2-tert-butyl-1-ethyl-5-phenylpyrrolidine (PubChem CID 70876764) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-tert-butyl-1-ethyl-5-phenylpyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-1-ethyl-5-phenylpyrrolidine
PubChem CID70876764
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-tert-butyl-1-ethyl-5-phenylpyrrolidine
SMILESCCN1C(c2ccccc2)CCC1C(C)(C)C
InChIInChI=1S/C16H25N/c1-5-17-14(13-9-7-6-8-10-13)11-12-15(17)16(2,3)4/h6-10,14-15H,5,11-12H2,1-4H3
InChIKeyUVZIVZJMGMFBKP-UHFFFAOYSA-N
XLogP4.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-ethyl-5-phenylpyrrolidine?
The IUPAC name of 2-tert-butyl-1-ethyl-5-phenylpyrrolidine (CID 70876764) is 2-tert-butyl-1-ethyl-5-phenylpyrrolidine.
What is the SMILES notation for 2-tert-butyl-1-ethyl-5-phenylpyrrolidine?
The canonical SMILES for 2-tert-butyl-1-ethyl-5-phenylpyrrolidine is CCN1C(c2ccccc2)CCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-ethyl-5-phenylpyrrolidine?
The InChIKey is UVZIVZJMGMFBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-5-17-14(13-9-7-6-8-10-13)11-12-15(17)16(2,3)4/h6-10,14-15H,5,11-12H2,1-4H3.
What are the key properties of 2-tert-butyl-1-ethyl-5-phenylpyrrolidine?
2-tert-butyl-1-ethyl-5-phenylpyrrolidine has a molecular weight of 231.38 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-ethyl-5-phenylpyrrolidine is sourced from PubChem (CID 70876764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).