2-[(2-bromophenyl)methyl]pyrrolidine

C11H14BrN — CID 12024988

IUPAC2-[(2-bromophenyl)methyl]pyrrolidine
SMILESBrc1ccccc1CC1CCCN1
InChIInChI=1S/C11H14BrN/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h1-2,4,6,10,13H,3,5,7-8H2
InChIKeyAZQJWMRIFFFWIU-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.74
Rot. Bonds2

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

2-[(2-bromophenyl)methyl]pyrrolidine (PubChem CID 12024988) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]pyrrolidine
PubChem CID12024988
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name2-[(2-bromophenyl)methyl]pyrrolidine
SMILESBrc1ccccc1CC1CCCN1
InChIInChI=1S/C11H14BrN/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h1-2,4,6,10,13H,3,5,7-8H2
InChIKeyAZQJWMRIFFFWIU-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

Analyze 2-[(2-bromophenyl)methyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(2-bromophenyl)methyl]pyrrolidine (CID 12024988) is 2-[(2-bromophenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]pyrrolidine is Brc1ccccc1CC1CCCN1.
What is the InChIKey of 2-[(2-bromophenyl)methyl]pyrrolidine?
The InChIKey is AZQJWMRIFFFWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h1-2,4,6,10,13H,3,5,7-8H2.
What are the key properties of 2-[(2-bromophenyl)methyl]pyrrolidine?
2-[(2-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-[(2-bromophenyl)methyl]pyrrolidine is sourced from PubChem (CID 12024988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).