4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline

C17H24BrFN2 — CID 79539388

IUPAC4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline
SMILESFc1cc(Br)ccc1NC1CCCCC1C1CCCCN1
InChIInChI=1S/C17H24BrFN2/c18-12-8-9-17(14(19)11-12)21-16-7-2-1-5-13(16)15-6-3-4-10-20-15/h8-9,11,13,15-16,20-21H,1-7,10H2
InChIKeyYJEGNTIGISGBEE-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.70
Rot. Bonds3

About 4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline

4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline (PubChem CID 79539388) has the molecular formula C17H24BrFN2 and a molecular weight of 355.30 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline
PubChem CID79539388
Molecular FormulaC17H24BrFN2
Molecular Weight355.30 g/mol
Exact Mass354.11
IUPAC Name4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline
SMILESFc1cc(Br)ccc1NC1CCCCC1C1CCCCN1
InChIInChI=1S/C17H24BrFN2/c18-12-8-9-17(14(19)11-12)21-16-7-2-1-5-13(16)15-6-3-4-10-20-15/h8-9,11,13,15-16,20-21H,1-7,10H2
InChIKeyYJEGNTIGISGBEE-UHFFFAOYSA-N
XLogP4.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)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

5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546354
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79544499
2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79540376
4-chloro-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79549651
4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107609439
2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79537662
2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546014
5-bromo-2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzonitrile
CID 82692143
2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79541370
2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol
CID 60898844
3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79537664
3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 104775959

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline?
The IUPAC name of 4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline (CID 79539388) is 4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline?
The canonical SMILES for 4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline is Fc1cc(Br)ccc1NC1CCCCC1C1CCCCN1.
What is the InChIKey of 4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline?
The InChIKey is YJEGNTIGISGBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFN2/c18-12-8-9-17(14(19)11-12)21-16-7-2-1-5-13(16)15-6-3-4-10-20-15/h8-9,11,13,15-16,20-21H,1-7,10H2.
What are the key properties of 4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline?
4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline has a molecular weight of 355.30 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline is sourced from PubChem (CID 79539388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).