1-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride

C11H15BrClN — CID 73012331

IUPAC1-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride
SMILESBrc1ccc(CN2CCCC2)cc1.Cl
InChIInChI=1S/C11H14BrN.ClH/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13;/h3-6H,1-2,7-9H2;1H
InChIKeyZATCZUJKYCYPBR-UHFFFAOYSA-N
MW276.60 g/mol
LogP3.47
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride

1-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride (PubChem CID 73012331) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride
PubChem CID73012331
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC Name1-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride
SMILESBrc1ccc(CN2CCCC2)cc1.Cl
InChIInChI=1S/C11H14BrN.ClH/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13;/h3-6H,1-2,7-9H2;1H
InChIKeyZATCZUJKYCYPBR-UHFFFAOYSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride?
The IUPAC name of 1-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride (CID 73012331) is 1-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride?
The canonical SMILES for 1-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride is Brc1ccc(CN2CCCC2)cc1.Cl.
What is the InChIKey of 1-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride?
The InChIKey is ZATCZUJKYCYPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN.ClH/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13;/h3-6H,1-2,7-9H2;1H.
What are the key properties of 1-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride?
1-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride has a molecular weight of 276.60 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 73012331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).