1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine

C16H22F3N — CID 63445435

IUPAC1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
SMILESCC(NC(C)C1CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H22F3N/c1-11(13-5-3-4-6-13)20-12(2)14-7-9-15(10-8-14)16(17,18)19/h7-13,20H,3-6H2,1-2H3
InChIKeyWHHPMKOGIIDAKB-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.93
Rot. Bonds4

About 1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine

1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine (PubChem CID 63445435) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
PubChem CID63445435
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
SMILESCC(NC(C)C1CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H22F3N/c1-11(13-5-3-4-6-13)20-12(2)14-7-9-15(10-8-14)16(17,18)19/h7-13,20H,3-6H2,1-2H3
InChIKeyWHHPMKOGIIDAKB-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine
CID 81386295
(1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 81390965
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine
CID 81348448
(1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine
CID 81389755
1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 55097109
(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 81389876
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
4-[1-(1-cyclohexylethylamino)ethyl]phenol
CID 62405535
1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine
CID 43783226
1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 115714644
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol
CID 62366668
1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine
CID 62405360

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine?
The IUPAC name of 1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine (CID 63445435) is 1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine?
The canonical SMILES for 1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine is CC(NC(C)C1CCCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine?
The InChIKey is WHHPMKOGIIDAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-11(13-5-3-4-6-13)20-12(2)14-7-9-15(10-8-14)16(17,18)19/h7-13,20H,3-6H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine?
1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine has a molecular weight of 285.35 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine is sourced from PubChem (CID 63445435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).