N-(2,2-dimethylcyclohexyl)-2-fluoroaniline

C14H20FN — CID 79828760

IUPACN-(2,2-dimethylcyclohexyl)-2-fluoroaniline
SMILESCC1(C)CCCCC1Nc1ccccc1F
InChIInChI=1S/C14H20FN/c1-14(2)10-6-5-9-13(14)16-12-8-4-3-7-11(12)15/h3-4,7-8,13,16H,5-6,9-10H2,1-2H3
InChIKeyLEFYNYDMMCFYLU-UHFFFAOYSA-N
MW221.32 g/mol
LogP4.21
Rot. Bonds2

About N-(2,2-dimethylcyclohexyl)-2-fluoroaniline

N-(2,2-dimethylcyclohexyl)-2-fluoroaniline (PubChem CID 79828760) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-2-fluoroaniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-2-fluoroaniline
PubChem CID79828760
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-(2,2-dimethylcyclohexyl)-2-fluoroaniline
SMILESCC1(C)CCCCC1Nc1ccccc1F
InChIInChI=1S/C14H20FN/c1-14(2)10-6-5-9-13(14)16-12-8-4-3-7-11(12)15/h3-4,7-8,13,16H,5-6,9-10H2,1-2H3
InChIKeyLEFYNYDMMCFYLU-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Despropionyl meta-fluorofentanyl
CID 23741730
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CID 79403
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CID 61164
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CID 110640
N,N'-bis(1-ethyl-3-methylpentyl)-p-phenylenediamine
CID 94138
N-(4-Fluorophenyl)-4-methylbenzylamine
CID 292877

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-2-fluoroaniline?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-2-fluoroaniline (CID 79828760) is N-(2,2-dimethylcyclohexyl)-2-fluoroaniline.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-2-fluoroaniline?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-2-fluoroaniline is CC1(C)CCCCC1Nc1ccccc1F.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-2-fluoroaniline?
The InChIKey is LEFYNYDMMCFYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-14(2)10-6-5-9-13(14)16-12-8-4-3-7-11(12)15/h3-4,7-8,13,16H,5-6,9-10H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)-2-fluoroaniline?
N-(2,2-dimethylcyclohexyl)-2-fluoroaniline has a molecular weight of 221.32 g/mol, XLogP of 4.21, 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)-2-fluoroaniline is sourced from PubChem (CID 79828760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).