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

C15H20BrFN2 — CID 62273349

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
SMILESFc1ccc(Br)cc1CN1CCCC1C1CCCN1
InChIInChI=1S/C15H20BrFN2/c16-12-5-6-13(17)11(9-12)10-19-8-2-4-15(19)14-3-1-7-18-14/h5-6,9,14-15,18H,1-4,7-8,10H2
InChIKeyJEVQUKKRZVFESG-UHFFFAOYSA-N
MW327.24 g/mol
LogP3.30
Rot. Bonds3

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

1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 62273349) has the molecular formula C15H20BrFN2 and a molecular weight of 327.24 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
PubChem CID62273349
Molecular FormulaC15H20BrFN2
Molecular Weight327.24 g/mol
Exact Mass326.08
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
SMILESFc1ccc(Br)cc1CN1CCCC1C1CCCN1
InChIInChI=1S/C15H20BrFN2/c16-12-5-6-13(17)11(9-12)10-19-8-2-4-15(19)14-3-1-7-18-14/h5-6,9,14-15,18H,1-4,7-8,10H2
InChIKeyJEVQUKKRZVFESG-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62275065
1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 66157263
3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 62274768
[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 43187006
3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzamide
CID 62274944
2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine
CID 104869393
1-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 55054099
1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256349
1-[(5-bromothiophen-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273179
N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62581260
1-[(3-bromofuran-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 106885940
1-[(5-bromo-2-fluorophenyl)methyl]-7-methyl-1,4-diazepane
CID 64869799

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine (CID 62273349) is 1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine is Fc1ccc(Br)cc1CN1CCCC1C1CCCN1.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is JEVQUKKRZVFESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2/c16-12-5-6-13(17)11(9-12)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-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 327.24 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 62273349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).