1-[4-(bromomethyl)phenyl]pyrrolidine

C11H14BrN — CID 67119953

IUPAC1-[4-(bromomethyl)phenyl]pyrrolidine
SMILESBrCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C11H14BrN/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h3-6H,1-2,7-9H2
InChIKeyQECJAIWNPGVUHE-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.18
Rot. Bonds2

About 1-[4-(bromomethyl)phenyl]pyrrolidine

1-[4-(bromomethyl)phenyl]pyrrolidine (PubChem CID 67119953) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-[4-(bromomethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-(bromomethyl)phenyl]pyrrolidine
PubChem CID67119953
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name1-[4-(bromomethyl)phenyl]pyrrolidine
SMILESBrCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C11H14BrN/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h3-6H,1-2,7-9H2
InChIKeyQECJAIWNPGVUHE-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)phenyl]pyrrolidine?
The IUPAC name of 1-[4-(bromomethyl)phenyl]pyrrolidine (CID 67119953) is 1-[4-(bromomethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[4-(bromomethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[4-(bromomethyl)phenyl]pyrrolidine is BrCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 1-[4-(bromomethyl)phenyl]pyrrolidine?
The InChIKey is QECJAIWNPGVUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h3-6H,1-2,7-9H2.
What are the key properties of 1-[4-(bromomethyl)phenyl]pyrrolidine?
1-[4-(bromomethyl)phenyl]pyrrolidine has a molecular weight of 240.14 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)phenyl]pyrrolidine is sourced from PubChem (CID 67119953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).