5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline

C16H22BrFN2 — CID 79546354

IUPAC5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
SMILESFc1ccc(Br)cc1NC1CCCCC1C1CCCN1
InChIInChI=1S/C16H22BrFN2/c17-11-7-8-13(18)16(10-11)20-15-5-2-1-4-12(15)14-6-3-9-19-14/h7-8,10,12,14-15,19-20H,1-6,9H2
InChIKeyPWSJKCJZMYWCML-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.31
Rot. Bonds3

About 5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline

5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline (PubChem CID 79546354) has the molecular formula C16H22BrFN2 and a molecular weight of 341.27 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
PubChem CID79546354
Molecular FormulaC16H22BrFN2
Molecular Weight341.27 g/mol
Exact Mass340.10
IUPAC Name5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
SMILESFc1ccc(Br)cc1NC1CCCCC1C1CCCN1
InChIInChI=1S/C16H22BrFN2/c17-11-7-8-13(18)16(10-11)20-15-5-2-1-4-12(15)14-6-3-9-19-14/h7-8,10,12,14-15,19-20H,1-6,9H2
InChIKeyPWSJKCJZMYWCML-UHFFFAOYSA-N
XLogP4.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79544499
4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79539388
2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79540376
4-chloro-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79549651
2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79541370
5-bromo-2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzonitrile
CID 82692143
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
3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 104775959
2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546014
4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79539499
5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79539259

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
The IUPAC name of 5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline (CID 79546354) is 5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline.
What is the SMILES notation for 5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
The canonical SMILES for 5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline is Fc1ccc(Br)cc1NC1CCCCC1C1CCCN1.
What is the InChIKey of 5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
The InChIKey is PWSJKCJZMYWCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2/c17-11-7-8-13(18)16(10-11)20-15-5-2-1-4-12(15)14-6-3-9-19-14/h7-8,10,12,14-15,19-20H,1-6,9H2.
What are the key properties of 5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline has a molecular weight of 341.27 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline is sourced from PubChem (CID 79546354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).