N-(2,2-dimethylcyclohexyl)-4-fluoroaniline

C14H20FN — CID 79828345

IUPACN-(2,2-dimethylcyclohexyl)-4-fluoroaniline
SMILESCC1(C)CCCCC1Nc1ccc(F)cc1
InChIInChI=1S/C14H20FN/c1-14(2)10-4-3-5-13(14)16-12-8-6-11(15)7-9-12/h6-9,13,16H,3-5,10H2,1-2H3
InChIKeyVCDJOJJEUFQKIL-UHFFFAOYSA-N
MW221.32 g/mol
LogP4.21
Rot. Bonds2

About N-(2,2-dimethylcyclohexyl)-4-fluoroaniline

N-(2,2-dimethylcyclohexyl)-4-fluoroaniline (PubChem CID 79828345) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-4-fluoroaniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-4-fluoroaniline
PubChem CID79828345
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-(2,2-dimethylcyclohexyl)-4-fluoroaniline
SMILESCC1(C)CCCCC1Nc1ccc(F)cc1
InChIInChI=1S/C14H20FN/c1-14(2)10-4-3-5-13(14)16-12-8-6-11(15)7-9-12/h6-9,13,16H,3-5,10H2,1-2H3
InChIKeyVCDJOJJEUFQKIL-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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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-4-fluoroaniline?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-4-fluoroaniline (CID 79828345) is N-(2,2-dimethylcyclohexyl)-4-fluoroaniline.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-4-fluoroaniline?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-4-fluoroaniline is CC1(C)CCCCC1Nc1ccc(F)cc1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-4-fluoroaniline?
The InChIKey is VCDJOJJEUFQKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-14(2)10-4-3-5-13(14)16-12-8-6-11(15)7-9-12/h6-9,13,16H,3-5,10H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)-4-fluoroaniline?
N-(2,2-dimethylcyclohexyl)-4-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)-4-fluoroaniline is sourced from PubChem (CID 79828345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).