3-(2-bromophenyl)-3-methylpyrrolidine

C11H14BrN — CID 62354169

IUPAC3-(2-bromophenyl)-3-methylpyrrolidine
SMILESCC1(c2ccccc2Br)CCNC1
InChIInChI=1S/C11H14BrN/c1-11(6-7-13-8-11)9-4-2-3-5-10(9)12/h2-5,13H,6-8H2,1H3
InChIKeyWDSZOQVPPASREX-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.70
Rot. Bonds1

About 3-(2-bromophenyl)-3-methylpyrrolidine

3-(2-bromophenyl)-3-methylpyrrolidine (PubChem CID 62354169) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 3-(2-bromophenyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name3-(2-bromophenyl)-3-methylpyrrolidine
PubChem CID62354169
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name3-(2-bromophenyl)-3-methylpyrrolidine
SMILESCC1(c2ccccc2Br)CCNC1
InChIInChI=1S/C11H14BrN/c1-11(6-7-13-8-11)9-4-2-3-5-10(9)12/h2-5,13H,6-8H2,1H3
InChIKeyWDSZOQVPPASREX-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-3-methylpyrrolidine?
The IUPAC name of 3-(2-bromophenyl)-3-methylpyrrolidine (CID 62354169) is 3-(2-bromophenyl)-3-methylpyrrolidine.
What is the SMILES notation for 3-(2-bromophenyl)-3-methylpyrrolidine?
The canonical SMILES for 3-(2-bromophenyl)-3-methylpyrrolidine is CC1(c2ccccc2Br)CCNC1.
What is the InChIKey of 3-(2-bromophenyl)-3-methylpyrrolidine?
The InChIKey is WDSZOQVPPASREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-11(6-7-13-8-11)9-4-2-3-5-10(9)12/h2-5,13H,6-8H2,1H3.
What are the key properties of 3-(2-bromophenyl)-3-methylpyrrolidine?
3-(2-bromophenyl)-3-methylpyrrolidine has a molecular weight of 240.14 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-3-methylpyrrolidine is sourced from PubChem (CID 62354169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).