1-(3-ethylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]ethanamine

C17H24F3N — CID 65415744

IUPAC1-(3-ethylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCCC1CCCC(C(N)Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H24F3N/c1-2-12-4-3-5-14(10-12)16(21)11-13-6-8-15(9-7-13)17(18,19)20/h6-9,12,14,16H,2-5,10-11,21H2,1H3
InChIKeyCJWPFZFYUGSQEG-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.79
Rot. Bonds4

About 1-(3-ethylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]ethanamine

1-(3-ethylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 65415744) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID65415744
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name1-(3-ethylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCCC1CCCC(C(N)Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H24F3N/c1-2-12-4-3-5-14(10-12)16(21)11-13-6-8-15(9-7-13)17(18,19)20/h6-9,12,14,16H,2-5,10-11,21H2,1H3
InChIKeyCJWPFZFYUGSQEG-UHFFFAOYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 65410943
4-[2-amino-2-(3-ethylcyclohexyl)ethyl]pyridin-2-amine
CID 65412909
1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55132371
1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 115863531
1-cyclobutyl-N-ethyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55040821
2-(4-tert-butylphenyl)-1-cyclohexylethanamine
CID 63411930
2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine
CID 55188328
2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 65477706
1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene
CID 150463835
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 62607269
1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 63520008
1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine
CID 103168467

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(3-ethylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 65415744) is 1-(3-ethylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(3-ethylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]ethanamine is CCC1CCCC(C(N)Cc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is CJWPFZFYUGSQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-2-12-4-3-5-14(10-12)16(21)11-13-6-8-15(9-7-13)17(18,19)20/h6-9,12,14,16H,2-5,10-11,21H2,1H3.
What are the key properties of 1-(3-ethylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
1-(3-ethylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 299.38 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 65415744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).