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

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Related Compounds

1-[(2-bromo-5-chlorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 66156264
1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273349
1-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62275065
2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine
CID 104869393
2-[1-[(2-bromo-5-chlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 66155674
1-[(3-bromofuran-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 106885940
1-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 55054099
1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 102841616
(3aR,8aR)-4-[(3-chlorophenyl)methyl]-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine
CID 178143434
3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 62274768
1-[(5-bromothiophen-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273179
1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256226

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).