1-tert-butyl-2-(2-phenylphenyl)pyrrolidine

C20H25N — CID 158841914

IUPAC1-tert-butyl-2-(2-phenylphenyl)pyrrolidine
SMILESCC(C)(C)N1CCCC1c1ccccc1-c1ccccc1
InChIInChI=1S/C20H25N/c1-20(2,3)21-15-9-14-19(21)18-13-8-7-12-17(18)16-10-5-4-6-11-16/h4-8,10-13,19H,9,14-15H2,1-3H3
InChIKeyIHUNXLXKDDTVME-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.29
Rot. Bonds2

About 1-tert-butyl-2-(2-phenylphenyl)pyrrolidine

1-tert-butyl-2-(2-phenylphenyl)pyrrolidine (PubChem CID 158841914) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-phenylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-2-(2-phenylphenyl)pyrrolidine
PubChem CID158841914
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name1-tert-butyl-2-(2-phenylphenyl)pyrrolidine
SMILESCC(C)(C)N1CCCC1c1ccccc1-c1ccccc1
InChIInChI=1S/C20H25N/c1-20(2,3)21-15-9-14-19(21)18-13-8-7-12-17(18)16-10-5-4-6-11-16/h4-8,10-13,19H,9,14-15H2,1-3H3
InChIKeyIHUNXLXKDDTVME-UHFFFAOYSA-N
XLogP5.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-phenylphenyl)pyrrolidine?
The IUPAC name of 1-tert-butyl-2-(2-phenylphenyl)pyrrolidine (CID 158841914) is 1-tert-butyl-2-(2-phenylphenyl)pyrrolidine.
What is the SMILES notation for 1-tert-butyl-2-(2-phenylphenyl)pyrrolidine?
The canonical SMILES for 1-tert-butyl-2-(2-phenylphenyl)pyrrolidine is CC(C)(C)N1CCCC1c1ccccc1-c1ccccc1.
What is the InChIKey of 1-tert-butyl-2-(2-phenylphenyl)pyrrolidine?
The InChIKey is IHUNXLXKDDTVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-20(2,3)21-15-9-14-19(21)18-13-8-7-12-17(18)16-10-5-4-6-11-16/h4-8,10-13,19H,9,14-15H2,1-3H3.
What are the key properties of 1-tert-butyl-2-(2-phenylphenyl)pyrrolidine?
1-tert-butyl-2-(2-phenylphenyl)pyrrolidine has a molecular weight of 279.43 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-phenylphenyl)pyrrolidine is sourced from PubChem (CID 158841914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).