3-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride

C11H15BrClN — CID 77134762

IUPAC3-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride
SMILESBrc1ccc(CC2CCNC2)cc1.Cl
InChIInChI=1S/C11H14BrN.ClH/c12-11-3-1-9(2-4-11)7-10-5-6-13-8-10;/h1-4,10,13H,5-8H2;1H
InChIKeyHUEHWKWIOTXRGH-UHFFFAOYSA-N
MW276.60 g/mol
LogP3.02
Rot. Bonds2

About 3-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride

3-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride (PubChem CID 77134762) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride
PubChem CID77134762
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC Name3-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride
SMILESBrc1ccc(CC2CCNC2)cc1.Cl
InChIInChI=1S/C11H14BrN.ClH/c12-11-3-1-9(2-4-11)7-10-5-6-13-8-10;/h1-4,10,13H,5-8H2;1H
InChIKeyHUEHWKWIOTXRGH-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride?
The IUPAC name of 3-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride (CID 77134762) is 3-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride?
The canonical SMILES for 3-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride is Brc1ccc(CC2CCNC2)cc1.Cl.
What is the InChIKey of 3-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride?
The InChIKey is HUEHWKWIOTXRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN.ClH/c12-11-3-1-9(2-4-11)7-10-5-6-13-8-10;/h1-4,10,13H,5-8H2;1H.
What are the key properties of 3-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride?
3-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride has a molecular weight of 276.60 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 77134762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).