3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

C15H20BrFN2 — CID 104775959

IUPAC3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESFc1ccc(NC2CCCC2C2CCCN2)cc1Br
InChIInChI=1S/C15H20BrFN2/c16-12-9-10(6-7-13(12)17)19-15-4-1-3-11(15)14-5-2-8-18-14/h6-7,9,11,14-15,18-19H,1-5,8H2
InChIKeyGUEDBOILAWEHPT-UHFFFAOYSA-N
MW327.24 g/mol
LogP3.92
Rot. Bonds3

About 3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (PubChem CID 104775959) has the molecular formula C15H20BrFN2 and a molecular weight of 327.24 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
PubChem CID104775959
Molecular FormulaC15H20BrFN2
Molecular Weight327.24 g/mol
Exact Mass326.08
IUPAC Name3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESFc1ccc(NC2CCCC2C2CCCN2)cc1Br
InChIInChI=1S/C15H20BrFN2/c16-12-9-10(6-7-13(12)17)19-15-4-1-3-11(15)14-5-2-8-18-14/h6-7,9,11,14-15,18-19H,1-5,8H2
InChIKeyGUEDBOILAWEHPT-UHFFFAOYSA-N
XLogP3.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107619264
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79544499
4-fluoro-3-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 114838335
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546354
4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107609439
3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543612
3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79537664
N-(2-pyrrolidin-2-ylcyclopentyl)-1,3-benzodioxol-5-amine
CID 79536079
3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545806
3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107582137
2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol
CID 107700278
4-chloro-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79549651

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The IUPAC name of 3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (CID 104775959) is 3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.
What is the SMILES notation for 3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The canonical SMILES for 3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is Fc1ccc(NC2CCCC2C2CCCN2)cc1Br.
What is the InChIKey of 3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The InChIKey is GUEDBOILAWEHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2/c16-12-9-10(6-7-13(12)17)19-15-4-1-3-11(15)14-5-2-8-18-14/h6-7,9,11,14-15,18-19H,1-5,8H2.
What are the key properties of 3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline has a molecular weight of 327.24 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is sourced from PubChem (CID 104775959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).