2-[(4-bromophenyl)methyl]pyrrolidine

C11H14BrN — CID 4013102

IUPAC2-[(4-bromophenyl)methyl]pyrrolidine
SMILESBrc1ccc(CC2CCCN2)cc1
InChIInChI=1S/C11H14BrN/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h3-6,11,13H,1-2,7-8H2
InChIKeyPRNKZLSWJHKYQX-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.74
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]pyrrolidine

2-[(4-bromophenyl)methyl]pyrrolidine (PubChem CID 4013102) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]pyrrolidine
PubChem CID4013102
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name2-[(4-bromophenyl)methyl]pyrrolidine
SMILESBrc1ccc(CC2CCCN2)cc1
InChIInChI=1S/C11H14BrN/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h3-6,11,13H,1-2,7-8H2
InChIKeyPRNKZLSWJHKYQX-UHFFFAOYSA-N
XLogP2.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(4-bromophenyl)methyl]pyrrolidine (CID 4013102) is 2-[(4-bromophenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]pyrrolidine is Brc1ccc(CC2CCCN2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]pyrrolidine?
The InChIKey is PRNKZLSWJHKYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h3-6,11,13H,1-2,7-8H2.
What are the key properties of 2-[(4-bromophenyl)methyl]pyrrolidine?
2-[(4-bromophenyl)methyl]pyrrolidine has a molecular weight of 240.14 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]pyrrolidine is sourced from PubChem (CID 4013102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).