N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline

C15H22FN — CID 79829574

IUPACN-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline
SMILESCc1ccc(F)cc1NC1CCCCC1(C)C
InChIInChI=1S/C15H22FN/c1-11-7-8-12(16)10-13(11)17-14-6-4-5-9-15(14,2)3/h7-8,10,14,17H,4-6,9H2,1-3H3
InChIKeyRSKCDEAJFZEVQO-UHFFFAOYSA-N
MW235.35 g/mol
LogP4.51
Rot. Bonds2

About N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline

N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline (PubChem CID 79829574) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline
PubChem CID79829574
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline
SMILESCc1ccc(F)cc1NC1CCCCC1(C)C
InChIInChI=1S/C15H22FN/c1-11-7-8-12(16)10-13(11)17-14-6-4-5-9-15(14,2)3/h7-8,10,14,17H,4-6,9H2,1-3H3
InChIKeyRSKCDEAJFZEVQO-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline (CID 79829574) is N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline is Cc1ccc(F)cc1NC1CCCCC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline?
The InChIKey is RSKCDEAJFZEVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11-7-8-12(16)10-13(11)17-14-6-4-5-9-15(14,2)3/h7-8,10,14,17H,4-6,9H2,1-3H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline?
N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline has a molecular weight of 235.35 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline is sourced from PubChem (CID 79829574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).