2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol

C15H20F3NO — CID 62366668

IUPAC2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol
SMILESCC(NC1CCCCC1O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO/c1-10(19-13-4-2-3-5-14(13)20)11-6-8-12(9-7-11)15(16,17)18/h6-10,13-14,19-20H,2-5H2,1H3
InChIKeyQRUBHGCECLIYAP-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.66
Rot. Bonds3

About 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol

2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol (PubChem CID 62366668) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol
PubChem CID62366668
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol
SMILESCC(NC1CCCCC1O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO/c1-10(19-13-4-2-3-5-14(13)20)11-6-8-12(9-7-11)15(16,17)18/h6-10,13-14,19-20H,2-5H2,1H3
InChIKeyQRUBHGCECLIYAP-UHFFFAOYSA-N
XLogP3.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 81352447
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cycloheptan-1-ol
CID 81352634
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
CID 81371394
2-(1-pyridin-4-ylethylamino)cyclopentan-1-ol
CID 60713516
2-[1-(4-iodophenyl)ethylamino]cyclopentan-1-ol
CID 115891348
trans-(1R,2R)-2-(1-pyridin-4-ylethylamino)cyclopentan-1-ol
CID 102733108
2,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 64908675
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980
trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
trans-(1R,2R)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]cyclohexan-1-ol
CID 104926585
1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 63445435
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81346875

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol?
The IUPAC name of 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol (CID 62366668) is 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol is CC(NC1CCCCC1O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol?
The InChIKey is QRUBHGCECLIYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-10(19-13-4-2-3-5-14(13)20)11-6-8-12(9-7-11)15(16,17)18/h6-10,13-14,19-20H,2-5H2,1H3.
What are the key properties of 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol?
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol has a molecular weight of 287.32 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 62366668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).