3-(4-tert-butylphenyl)-2,3-dimethylpyrrolidine

C16H25N — CID 55062999

IUPAC3-(4-tert-butylphenyl)-2,3-dimethylpyrrolidine
SMILESCC1NCCC1(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25N/c1-12-16(5,10-11-17-12)14-8-6-13(7-9-14)15(2,3)4/h6-9,12,17H,10-11H2,1-5H3
InChIKeyRTYZJFWPTPMIKJ-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.62
Rot. Bonds1

About 3-(4-tert-butylphenyl)-2,3-dimethylpyrrolidine

3-(4-tert-butylphenyl)-2,3-dimethylpyrrolidine (PubChem CID 55062999) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-2,3-dimethylpyrrolidine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-2,3-dimethylpyrrolidine
PubChem CID55062999
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-(4-tert-butylphenyl)-2,3-dimethylpyrrolidine
SMILESCC1NCCC1(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25N/c1-12-16(5,10-11-17-12)14-8-6-13(7-9-14)15(2,3)4/h6-9,12,17H,10-11H2,1-5H3
InChIKeyRTYZJFWPTPMIKJ-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-2,3-dimethylpyrrolidine?
The IUPAC name of 3-(4-tert-butylphenyl)-2,3-dimethylpyrrolidine (CID 55062999) is 3-(4-tert-butylphenyl)-2,3-dimethylpyrrolidine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-2,3-dimethylpyrrolidine?
The canonical SMILES for 3-(4-tert-butylphenyl)-2,3-dimethylpyrrolidine is CC1NCCC1(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-2,3-dimethylpyrrolidine?
The InChIKey is RTYZJFWPTPMIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-16(5,10-11-17-12)14-8-6-13(7-9-14)15(2,3)4/h6-9,12,17H,10-11H2,1-5H3.
What are the key properties of 3-(4-tert-butylphenyl)-2,3-dimethylpyrrolidine?
3-(4-tert-butylphenyl)-2,3-dimethylpyrrolidine has a molecular weight of 231.38 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-2,3-dimethylpyrrolidine is sourced from PubChem (CID 55062999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).