1-(4-bromo-2-tert-butylphenyl)pyrrolidine

C14H20BrN — CID 66672261

IUPAC1-(4-bromo-2-tert-butylphenyl)pyrrolidine
SMILESCC(C)(C)c1cc(Br)ccc1N1CCCC1
InChIInChI=1S/C14H20BrN/c1-14(2,3)12-10-11(15)6-7-13(12)16-8-4-5-9-16/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyIBGFIMUGUVAACQ-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.35
Rot. Bonds1

About 1-(4-bromo-2-tert-butylphenyl)pyrrolidine

1-(4-bromo-2-tert-butylphenyl)pyrrolidine (PubChem CID 66672261) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 1-(4-bromo-2-tert-butylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-bromo-2-tert-butylphenyl)pyrrolidine
PubChem CID66672261
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name1-(4-bromo-2-tert-butylphenyl)pyrrolidine
SMILESCC(C)(C)c1cc(Br)ccc1N1CCCC1
InChIInChI=1S/C14H20BrN/c1-14(2,3)12-10-11(15)6-7-13(12)16-8-4-5-9-16/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyIBGFIMUGUVAACQ-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-tert-butylphenyl)pyrrolidine?
The IUPAC name of 1-(4-bromo-2-tert-butylphenyl)pyrrolidine (CID 66672261) is 1-(4-bromo-2-tert-butylphenyl)pyrrolidine.
What is the SMILES notation for 1-(4-bromo-2-tert-butylphenyl)pyrrolidine?
The canonical SMILES for 1-(4-bromo-2-tert-butylphenyl)pyrrolidine is CC(C)(C)c1cc(Br)ccc1N1CCCC1.
What is the InChIKey of 1-(4-bromo-2-tert-butylphenyl)pyrrolidine?
The InChIKey is IBGFIMUGUVAACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-14(2,3)12-10-11(15)6-7-13(12)16-8-4-5-9-16/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(4-bromo-2-tert-butylphenyl)pyrrolidine?
1-(4-bromo-2-tert-butylphenyl)pyrrolidine has a molecular weight of 282.22 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-tert-butylphenyl)pyrrolidine is sourced from PubChem (CID 66672261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).