1-[(4-bromophenyl)methyl]pyrrolidine

C11H14BrN — CID 12738004

IUPAC1-[(4-bromophenyl)methyl]pyrrolidine
SMILESBrc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C11H14BrN/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13/h3-6H,1-2,7-9H2
InChIKeyUKJIGXJYXLVARZ-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.04
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]pyrrolidine

1-[(4-bromophenyl)methyl]pyrrolidine (PubChem CID 12738004) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]pyrrolidine
PubChem CID12738004
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name1-[(4-bromophenyl)methyl]pyrrolidine
SMILESBrc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C11H14BrN/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13/h3-6H,1-2,7-9H2
InChIKeyUKJIGXJYXLVARZ-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]pyrrolidine?
The IUPAC name of 1-[(4-bromophenyl)methyl]pyrrolidine (CID 12738004) is 1-[(4-bromophenyl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]pyrrolidine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]pyrrolidine is Brc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]pyrrolidine?
The InChIKey is UKJIGXJYXLVARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13/h3-6H,1-2,7-9H2.
What are the key properties of 1-[(4-bromophenyl)methyl]pyrrolidine?
1-[(4-bromophenyl)methyl]pyrrolidine has a molecular weight of 240.14 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]pyrrolidine is sourced from PubChem (CID 12738004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).