2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline

C18H27FN2 — CID 79541370

IUPAC2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline
SMILESCc1ccc(F)c(NC2CCCCC2C2CCCCN2)c1
InChIInChI=1S/C18H27FN2/c1-13-9-10-15(19)18(12-13)21-17-8-3-2-6-14(17)16-7-4-5-11-20-16/h9-10,12,14,16-17,20-21H,2-8,11H2,1H3
InChIKeyFRNKURZUXKFNFW-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.25
Rot. Bonds3

About 2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline

2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline (PubChem CID 79541370) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline
PubChem CID79541370
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline
SMILESCc1ccc(F)c(NC2CCCCC2C2CCCCN2)c1
InChIInChI=1S/C18H27FN2/c1-13-9-10-15(19)18(12-13)21-17-8-3-2-6-14(17)16-7-4-5-11-20-16/h9-10,12,14,16-17,20-21H,2-8,11H2,1H3
InChIKeyFRNKURZUXKFNFW-UHFFFAOYSA-N
XLogP4.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline?
The IUPAC name of 2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline (CID 79541370) is 2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline.
What is the SMILES notation for 2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline?
The canonical SMILES for 2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline is Cc1ccc(F)c(NC2CCCCC2C2CCCCN2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline?
The InChIKey is FRNKURZUXKFNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-13-9-10-15(19)18(12-13)21-17-8-3-2-6-14(17)16-7-4-5-11-20-16/h9-10,12,14,16-17,20-21H,2-8,11H2,1H3.
What are the key properties of 2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline?
2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline has a molecular weight of 290.43 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline is sourced from PubChem (CID 79541370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).