(1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine

C17H24F3N — CID 81390965

IUPAC(1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
SMILESCC(N[C@@H](C)C1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H24F3N/c1-12(14-7-4-3-5-8-14)21-13(2)15-9-6-10-16(11-15)17(18,19)20/h6,9-14,21H,3-5,7-8H2,1-2H3/t12-,13?/m0/s1
InChIKeyTYAGBFKDEIIETQ-UEWDXFNNSA-N
MW299.38 g/mol
LogP5.32
Rot. Bonds4

About (1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine

(1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine (PubChem CID 81390965) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
PubChem CID81390965
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name(1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
SMILESCC(N[C@@H](C)C1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H24F3N/c1-12(14-7-4-3-5-8-14)21-13(2)15-9-6-10-16(11-15)17(18,19)20/h6,9-14,21H,3-5,7-8H2,1-2H3/t12-,13?/m0/s1
InChIKeyTYAGBFKDEIIETQ-UEWDXFNNSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.38
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 115704677
1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 63445435
1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 65399168
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
CID 112764056
(1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine
CID 81386295
3-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine
CID 103561386
N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63450355
(1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
CID 81387591
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 112831466
1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
CID 95733802
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine (CID 81390965) is (1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine is CC(N[C@@H](C)C1CCCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine?
The InChIKey is TYAGBFKDEIIETQ-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H24F3N/c1-12(14-7-4-3-5-8-14)21-13(2)15-9-6-10-16(11-15)17(18,19)20/h6,9-14,21H,3-5,7-8H2,1-2H3/t12-,13?/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine?
(1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine has a molecular weight of 299.38 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine is sourced from PubChem (CID 81390965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).