1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine

C15H20BrClN2 — CID 66157263

IUPAC1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
SMILESClc1ccc(Br)c(CN2CCCC2C2CCCN2)c1
InChIInChI=1S/C15H20BrClN2/c16-13-6-5-12(17)9-11(13)10-19-8-2-4-15(19)14-3-1-7-18-14/h5-6,9,14-15,18H,1-4,7-8,10H2
InChIKeyLHHQUBOGRBDPKG-UHFFFAOYSA-N
MW343.70 g/mol
LogP3.82
Rot. Bonds3

About 1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine

1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 66157263) has the molecular formula C15H20BrClN2 and a molecular weight of 343.70 g/mol. Its IUPAC name is 1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
PubChem CID66157263
Molecular FormulaC15H20BrClN2
Molecular Weight343.70 g/mol
Exact Mass342.05
IUPAC Name1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
SMILESClc1ccc(Br)c(CN2CCCC2C2CCCN2)c1
InChIInChI=1S/C15H20BrClN2/c16-13-6-5-12(17)9-11(13)10-19-8-2-4-15(19)14-3-1-7-18-14/h5-6,9,14-15,18H,1-4,7-8,10H2
InChIKeyLHHQUBOGRBDPKG-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.70
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine (CID 66157263) is 1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine is Clc1ccc(Br)c(CN2CCCC2C2CCCN2)c1.
What is the InChIKey of 1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is LHHQUBOGRBDPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2/c16-13-6-5-12(17)9-11(13)10-19-8-2-4-15(19)14-3-1-7-18-14/h5-6,9,14-15,18H,1-4,7-8,10H2.
What are the key properties of 1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 343.70 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 66157263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).