1-(2,2-dimethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanamine

C17H24F3N — CID 107188138

IUPAC1-(2,2-dimethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC1(C)CCCCC1C(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H24F3N/c1-16(2)9-4-3-8-14(16)15(21)11-12-6-5-7-13(10-12)17(18,19)20/h5-7,10,14-15H,3-4,8-9,11,21H2,1-2H3
InChIKeyVNALBKUWMRUQRC-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.79
Rot. Bonds3

About 1-(2,2-dimethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanamine

1-(2,2-dimethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 107188138) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID107188138
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name1-(2,2-dimethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC1(C)CCCCC1C(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H24F3N/c1-16(2)9-4-3-8-14(16)15(21)11-12-6-5-7-13(10-12)17(18,19)20/h5-7,10,14-15H,3-4,8-9,11,21H2,1-2H3
InChIKeyVNALBKUWMRUQRC-UHFFFAOYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65422341
2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine
CID 107179648
1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65415364
2-cyclopentyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 112569664
2,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 79865086
[1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105253379
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine
CID 107188309
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913
1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol
CID 103452163
2,2-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 79834786
(2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine
CID 107191314

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 107188138) is 1-(2,2-dimethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanamine is CC1(C)CCCCC1C(N)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is VNALBKUWMRUQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-16(2)9-4-3-8-14(16)15(21)11-12-6-5-7-13(10-12)17(18,19)20/h5-7,10,14-15H,3-4,8-9,11,21H2,1-2H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
1-(2,2-dimethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 299.38 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 107188138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).