2-(2-bromophenyl)-2-methylpyrrolidine

C11H14BrN — CID 82621906

IUPAC2-(2-bromophenyl)-2-methylpyrrolidine
SMILESCC1(c2ccccc2Br)CCCN1
InChIInChI=1S/C11H14BrN/c1-11(7-4-8-13-11)9-5-2-3-6-10(9)12/h2-3,5-6,13H,4,7-8H2,1H3
InChIKeyDLBLZIGXSOXBEZ-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.05
Rot. Bonds1

About 2-(2-bromophenyl)-2-methylpyrrolidine

2-(2-bromophenyl)-2-methylpyrrolidine (PubChem CID 82621906) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-methylpyrrolidine
PubChem CID82621906
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name2-(2-bromophenyl)-2-methylpyrrolidine
SMILESCC1(c2ccccc2Br)CCCN1
InChIInChI=1S/C11H14BrN/c1-11(7-4-8-13-11)9-5-2-3-6-10(9)12/h2-3,5-6,13H,4,7-8H2,1H3
InChIKeyDLBLZIGXSOXBEZ-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(2-bromophenyl)-2-methylpyrrolidine (CID 82621906) is 2-(2-bromophenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(2-bromophenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(2-bromophenyl)-2-methylpyrrolidine is CC1(c2ccccc2Br)CCCN1.
What is the InChIKey of 2-(2-bromophenyl)-2-methylpyrrolidine?
The InChIKey is DLBLZIGXSOXBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-11(7-4-8-13-11)9-5-2-3-6-10(9)12/h2-3,5-6,13H,4,7-8H2,1H3.
What are the key properties of 2-(2-bromophenyl)-2-methylpyrrolidine?
2-(2-bromophenyl)-2-methylpyrrolidine has a molecular weight of 240.14 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-methylpyrrolidine is sourced from PubChem (CID 82621906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).