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

C15H20F3N — CID 81013823

IUPAC4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCC1(C)CCC(N)C(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H20F3N/c1-14(2)8-7-13(19)11(9-14)10-5-3-4-6-12(10)15(16,17)18/h3-6,11,13H,7-9,19H2,1-2H3
InChIKeyJLRSUBRFUCCCEL-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.33
Rot. Bonds1

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

4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine (PubChem CID 81013823) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
PubChem CID81013823
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCC1(C)CCC(N)C(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H20F3N/c1-14(2)8-7-13(19)11(9-14)10-5-3-4-6-12(10)15(16,17)18/h3-6,11,13H,7-9,19H2,1-2H3
InChIKeyJLRSUBRFUCCCEL-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 94603912
trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 94603915
2-(2,3-difluoro-4-methylphenyl)-4,4-dimethylcyclohexan-1-amine
CID 107514706
4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81014823
1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 118271900
2-(2-chloro-5-fluorophenyl)-4,4-dimethylcyclohexan-1-amine
CID 105396251
1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene
CID 118593677
[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 44572757
4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 106784508
(1S,2S,4S)-4-[2-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 139433627
2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 116811362
1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene
CID 130539881

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine (CID 81013823) is 4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine is CC1(C)CCC(N)C(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The InChIKey is JLRSUBRFUCCCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-14(2)8-7-13(19)11(9-14)10-5-3-4-6-12(10)15(16,17)18/h3-6,11,13H,7-9,19H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine?
4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 81013823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).