1-(3-bromo-5-methylphenyl)pyrrolidine

C11H14BrN — CID 53216985

IUPAC1-(3-bromo-5-methylphenyl)pyrrolidine
SMILESCc1cc(Br)cc(N2CCCC2)c1
InChIInChI=1S/C11H14BrN/c1-9-6-10(12)8-11(7-9)13-4-2-3-5-13/h6-8H,2-5H2,1H3
InChIKeyXCHZZMSGUDXAGD-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.36
Rot. Bonds1

About 1-(3-bromo-5-methylphenyl)pyrrolidine

1-(3-bromo-5-methylphenyl)pyrrolidine (PubChem CID 53216985) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)pyrrolidine
PubChem CID53216985
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name1-(3-bromo-5-methylphenyl)pyrrolidine
SMILESCc1cc(Br)cc(N2CCCC2)c1
InChIInChI=1S/C11H14BrN/c1-9-6-10(12)8-11(7-9)13-4-2-3-5-13/h6-8H,2-5H2,1H3
InChIKeyXCHZZMSGUDXAGD-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)pyrrolidine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)pyrrolidine (CID 53216985) is 1-(3-bromo-5-methylphenyl)pyrrolidine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)pyrrolidine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)pyrrolidine is Cc1cc(Br)cc(N2CCCC2)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)pyrrolidine?
The InChIKey is XCHZZMSGUDXAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-9-6-10(12)8-11(7-9)13-4-2-3-5-13/h6-8H,2-5H2,1H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)pyrrolidine?
1-(3-bromo-5-methylphenyl)pyrrolidine has a molecular weight of 240.14 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)pyrrolidine is sourced from PubChem (CID 53216985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).