2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine

C15H20F3N — CID 79834999

IUPAC2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCC1(C)CCCCC1(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N/c1-13(2)9-3-4-10-14(13,19)11-5-7-12(8-6-11)15(16,17)18/h5-8H,3-4,9-10,19H2,1-2H3
InChIKeyDNYASYSAKJXGHM-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.46
Rot. Bonds1

About 2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine

2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine (PubChem CID 79834999) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
PubChem CID79834999
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCC1(C)CCCCC1(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N/c1-13(2)9-3-4-10-14(13,19)11-5-7-12(8-6-11)15(16,17)18/h5-8H,3-4,9-10,19H2,1-2H3
InChIKeyDNYASYSAKJXGHM-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 145295879
azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene
CID 66801661
2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 62788683
2,2-dimethyl-1-(4-propylphenyl)cyclopentan-1-amine
CID 79857477
1-(3-fluoro-5-methylphenyl)-2,2-dimethylcyclohexan-1-amine
CID 79836961
2-methyl-2-[4-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 135004378
3-methyl-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 64516236
1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene
CID 69409357
2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 62789048
2,2-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 79834786
1-[1-(methylsulfanyloxymethyl)cyclopentyl]-4-(trifluoromethyl)benzene
CID 123439070
(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 156803398

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine (CID 79834999) is 2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine is CC1(C)CCCCC1(N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The InChIKey is DNYASYSAKJXGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-13(2)9-3-4-10-14(13,19)11-5-7-12(8-6-11)15(16,17)18/h5-8H,3-4,9-10,19H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 79834999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).