2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine

C14H20BrN — CID 66468325

IUPAC2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine
SMILESCC(C)C1(Cc2cccc(Br)c2)CCCN1
InChIInChI=1S/C14H20BrN/c1-11(2)14(7-4-8-16-14)10-12-5-3-6-13(15)9-12/h3,5-6,9,11,16H,4,7-8,10H2,1-2H3
InChIKeyBRSZZIKBGAASOG-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.77
Rot. Bonds3

About 2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine

2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine (PubChem CID 66468325) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine
PubChem CID66468325
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine
SMILESCC(C)C1(Cc2cccc(Br)c2)CCCN1
InChIInChI=1S/C14H20BrN/c1-11(2)14(7-4-8-16-14)10-12-5-3-6-13(15)9-12/h3,5-6,9,11,16H,4,7-8,10H2,1-2H3
InChIKeyBRSZZIKBGAASOG-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine (CID 66468325) is 2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine is CC(C)C1(Cc2cccc(Br)c2)CCCN1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine?
The InChIKey is BRSZZIKBGAASOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-11(2)14(7-4-8-16-14)10-12-5-3-6-13(15)9-12/h3,5-6,9,11,16H,4,7-8,10H2,1-2H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine?
2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine has a molecular weight of 282.22 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 66468325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).