1-(4-tert-butyl-2-phenylphenyl)pyrrolidine

C20H25N — CID 168512270

IUPAC1-(4-tert-butyl-2-phenylphenyl)pyrrolidine
SMILESCC(C)(C)c1ccc(N2CCCC2)c(-c2ccccc2)c1
InChIInChI=1S/C20H25N/c1-20(2,3)17-11-12-19(21-13-7-8-14-21)18(15-17)16-9-5-4-6-10-16/h4-6,9-12,15H,7-8,13-14H2,1-3H3
InChIKeyFXXBFRXEDGQMIA-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.25
Rot. Bonds2

About 1-(4-tert-butyl-2-phenylphenyl)pyrrolidine

1-(4-tert-butyl-2-phenylphenyl)pyrrolidine (PubChem CID 168512270) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(4-tert-butyl-2-phenylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-tert-butyl-2-phenylphenyl)pyrrolidine
PubChem CID168512270
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name1-(4-tert-butyl-2-phenylphenyl)pyrrolidine
SMILESCC(C)(C)c1ccc(N2CCCC2)c(-c2ccccc2)c1
InChIInChI=1S/C20H25N/c1-20(2,3)17-11-12-19(21-13-7-8-14-21)18(15-17)16-9-5-4-6-10-16/h4-6,9-12,15H,7-8,13-14H2,1-3H3
InChIKeyFXXBFRXEDGQMIA-UHFFFAOYSA-N
XLogP5.25
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 ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2-phenylphenyl)pyrrolidine?
The IUPAC name of 1-(4-tert-butyl-2-phenylphenyl)pyrrolidine (CID 168512270) is 1-(4-tert-butyl-2-phenylphenyl)pyrrolidine.
What is the SMILES notation for 1-(4-tert-butyl-2-phenylphenyl)pyrrolidine?
The canonical SMILES for 1-(4-tert-butyl-2-phenylphenyl)pyrrolidine is CC(C)(C)c1ccc(N2CCCC2)c(-c2ccccc2)c1.
What is the InChIKey of 1-(4-tert-butyl-2-phenylphenyl)pyrrolidine?
The InChIKey is FXXBFRXEDGQMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-20(2,3)17-11-12-19(21-13-7-8-14-21)18(15-17)16-9-5-4-6-10-16/h4-6,9-12,15H,7-8,13-14H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-2-phenylphenyl)pyrrolidine?
1-(4-tert-butyl-2-phenylphenyl)pyrrolidine has a molecular weight of 279.43 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2-phenylphenyl)pyrrolidine is sourced from PubChem (CID 168512270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).