3-butan-2-yl-3-methyl-2-phenylpyrrolidine

C15H23N — CID 62722746

IUPAC3-butan-2-yl-3-methyl-2-phenylpyrrolidine
SMILESCCC(C)C1(C)CCNC1c1ccccc1
InChIInChI=1S/C15H23N/c1-4-12(2)15(3)10-11-16-14(15)13-8-6-5-7-9-13/h5-9,12,14,16H,4,10-11H2,1-3H3
InChIKeyYDRSKKHFLXTLFD-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.77
Rot. Bonds3

About 3-butan-2-yl-3-methyl-2-phenylpyrrolidine

3-butan-2-yl-3-methyl-2-phenylpyrrolidine (PubChem CID 62722746) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-butan-2-yl-3-methyl-2-phenylpyrrolidine.

Molecular Properties

Compound Name3-butan-2-yl-3-methyl-2-phenylpyrrolidine
PubChem CID62722746
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-butan-2-yl-3-methyl-2-phenylpyrrolidine
SMILESCCC(C)C1(C)CCNC1c1ccccc1
InChIInChI=1S/C15H23N/c1-4-12(2)15(3)10-11-16-14(15)13-8-6-5-7-9-13/h5-9,12,14,16H,4,10-11H2,1-3H3
InChIKeyYDRSKKHFLXTLFD-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-3-methyl-2-phenylpyrrolidine?
The IUPAC name of 3-butan-2-yl-3-methyl-2-phenylpyrrolidine (CID 62722746) is 3-butan-2-yl-3-methyl-2-phenylpyrrolidine.
What is the SMILES notation for 3-butan-2-yl-3-methyl-2-phenylpyrrolidine?
The canonical SMILES for 3-butan-2-yl-3-methyl-2-phenylpyrrolidine is CCC(C)C1(C)CCNC1c1ccccc1.
What is the InChIKey of 3-butan-2-yl-3-methyl-2-phenylpyrrolidine?
The InChIKey is YDRSKKHFLXTLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-12(2)15(3)10-11-16-14(15)13-8-6-5-7-9-13/h5-9,12,14,16H,4,10-11H2,1-3H3.
What are the key properties of 3-butan-2-yl-3-methyl-2-phenylpyrrolidine?
3-butan-2-yl-3-methyl-2-phenylpyrrolidine has a molecular weight of 217.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-3-methyl-2-phenylpyrrolidine is sourced from PubChem (CID 62722746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).