3-[2-(3-bromophenyl)propan-2-yl]pyrrolidine

C13H18BrN — CID 82625311

IUPAC3-[2-(3-bromophenyl)propan-2-yl]pyrrolidine
SMILESCC(C)(c1cccc(Br)c1)C1CCNC1
InChIInChI=1S/C13H18BrN/c1-13(2,11-6-7-15-9-11)10-4-3-5-12(14)8-10/h3-5,8,11,15H,6-7,9H2,1-2H3
InChIKeyFTGFZXRKRMHIFN-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.34
Rot. Bonds2

About 3-[2-(3-bromophenyl)propan-2-yl]pyrrolidine

3-[2-(3-bromophenyl)propan-2-yl]pyrrolidine (PubChem CID 82625311) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 3-[2-(3-bromophenyl)propan-2-yl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(3-bromophenyl)propan-2-yl]pyrrolidine
PubChem CID82625311
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name3-[2-(3-bromophenyl)propan-2-yl]pyrrolidine
SMILESCC(C)(c1cccc(Br)c1)C1CCNC1
InChIInChI=1S/C13H18BrN/c1-13(2,11-6-7-15-9-11)10-4-3-5-12(14)8-10/h3-5,8,11,15H,6-7,9H2,1-2H3
InChIKeyFTGFZXRKRMHIFN-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromophenyl)propan-2-yl]pyrrolidine?
The IUPAC name of 3-[2-(3-bromophenyl)propan-2-yl]pyrrolidine (CID 82625311) is 3-[2-(3-bromophenyl)propan-2-yl]pyrrolidine.
What is the SMILES notation for 3-[2-(3-bromophenyl)propan-2-yl]pyrrolidine?
The canonical SMILES for 3-[2-(3-bromophenyl)propan-2-yl]pyrrolidine is CC(C)(c1cccc(Br)c1)C1CCNC1.
What is the InChIKey of 3-[2-(3-bromophenyl)propan-2-yl]pyrrolidine?
The InChIKey is FTGFZXRKRMHIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-13(2,11-6-7-15-9-11)10-4-3-5-12(14)8-10/h3-5,8,11,15H,6-7,9H2,1-2H3.
What are the key properties of 3-[2-(3-bromophenyl)propan-2-yl]pyrrolidine?
3-[2-(3-bromophenyl)propan-2-yl]pyrrolidine has a molecular weight of 268.20 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromophenyl)propan-2-yl]pyrrolidine is sourced from PubChem (CID 82625311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).