2-(4-bromo-3-methylphenyl)pyrrolidine

C11H14BrN — CID 53403625

IUPAC2-(4-bromo-3-methylphenyl)pyrrolidine
SMILESCc1cc(C2CCCN2)ccc1Br
InChIInChI=1S/C11H14BrN/c1-8-7-9(4-5-10(8)12)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3
InChIKeyJFLBFTBAXZNXHS-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.18
Rot. Bonds1

About 2-(4-bromo-3-methylphenyl)pyrrolidine

2-(4-bromo-3-methylphenyl)pyrrolidine (PubChem CID 53403625) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenyl)pyrrolidine
PubChem CID53403625
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name2-(4-bromo-3-methylphenyl)pyrrolidine
SMILESCc1cc(C2CCCN2)ccc1Br
InChIInChI=1S/C11H14BrN/c1-8-7-9(4-5-10(8)12)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3
InChIKeyJFLBFTBAXZNXHS-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenyl)pyrrolidine?
The IUPAC name of 2-(4-bromo-3-methylphenyl)pyrrolidine (CID 53403625) is 2-(4-bromo-3-methylphenyl)pyrrolidine.
What is the SMILES notation for 2-(4-bromo-3-methylphenyl)pyrrolidine?
The canonical SMILES for 2-(4-bromo-3-methylphenyl)pyrrolidine is Cc1cc(C2CCCN2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenyl)pyrrolidine?
The InChIKey is JFLBFTBAXZNXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-8-7-9(4-5-10(8)12)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3.
What are the key properties of 2-(4-bromo-3-methylphenyl)pyrrolidine?
2-(4-bromo-3-methylphenyl)pyrrolidine has a molecular weight of 240.14 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenyl)pyrrolidine is sourced from PubChem (CID 53403625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).