3-(4-bromophenyl)-3-propan-2-ylpyrrolidine

C13H18BrN — CID 83902900

IUPAC3-(4-bromophenyl)-3-propan-2-ylpyrrolidine
SMILESCC(C)C1(c2ccc(Br)cc2)CCNC1
InChIInChI=1S/C13H18BrN/c1-10(2)13(7-8-15-9-13)11-3-5-12(14)6-4-11/h3-6,10,15H,7-9H2,1-2H3
InChIKeyKTRXAFCBKQPZAH-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.34
Rot. Bonds2

About 3-(4-bromophenyl)-3-propan-2-ylpyrrolidine

3-(4-bromophenyl)-3-propan-2-ylpyrrolidine (PubChem CID 83902900) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-(4-bromophenyl)-3-propan-2-ylpyrrolidine
PubChem CID83902900
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name3-(4-bromophenyl)-3-propan-2-ylpyrrolidine
SMILESCC(C)C1(c2ccc(Br)cc2)CCNC1
InChIInChI=1S/C13H18BrN/c1-10(2)13(7-8-15-9-13)11-3-5-12(14)6-4-11/h3-6,10,15H,7-9H2,1-2H3
InChIKeyKTRXAFCBKQPZAH-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-(4-bromophenyl)-3-propan-2-ylpyrrolidine?
The IUPAC name of 3-(4-bromophenyl)-3-propan-2-ylpyrrolidine (CID 83902900) is 3-(4-bromophenyl)-3-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-(4-bromophenyl)-3-propan-2-ylpyrrolidine?
The canonical SMILES for 3-(4-bromophenyl)-3-propan-2-ylpyrrolidine is CC(C)C1(c2ccc(Br)cc2)CCNC1.
What is the InChIKey of 3-(4-bromophenyl)-3-propan-2-ylpyrrolidine?
The InChIKey is KTRXAFCBKQPZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-10(2)13(7-8-15-9-13)11-3-5-12(14)6-4-11/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-3-propan-2-ylpyrrolidine?
3-(4-bromophenyl)-3-propan-2-ylpyrrolidine 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-(4-bromophenyl)-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 83902900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).