2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine

C15H20F3NO — CID 115850794

IUPAC2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESNC(CC1CCCCC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H20F3NO/c16-15(17,18)20-14-9-5-4-8-12(14)13(19)10-11-6-2-1-3-7-11/h4-5,8-9,11,13H,1-3,6-7,10,19H2
InChIKeyFFBVFDQHFWNWHM-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.56
Rot. Bonds4

About 2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine

2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 115850794) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
PubChem CID115850794
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESNC(CC1CCCCC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H20F3NO/c16-15(17,18)20-14-9-5-4-8-12(14)13(19)10-11-6-2-1-3-7-11/h4-5,8-9,11,13H,1-3,6-7,10,19H2
InChIKeyFFBVFDQHFWNWHM-UHFFFAOYSA-N
XLogP4.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62790469
(1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171160319
2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 61054424
2-cycloheptyl-1-phenylethanamine
CID 21261900
2-cycloheptyl-1-naphthalen-1-ylethanamine
CID 114457695
N-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65384955
(1S)-4,4,4-trifluoro-1-[2-(trifluoromethoxy)phenyl]butan-1-amine;hydrochloride
CID 171229687
(1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine
CID 171216572
(3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile
CID 171260551
2-cyclopentyl-1-(2-ethylphenyl)ethanamine
CID 115847413
(1R)-2-cyclopentyl-1-(2-piperidin-1-ylphenyl)ethanamine
CID 129363780
(1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171216573

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine (CID 115850794) is 2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine is NC(CC1CCCCC1)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is FFBVFDQHFWNWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c16-15(17,18)20-14-9-5-4-8-12(14)13(19)10-11-6-2-1-3-7-11/h4-5,8-9,11,13H,1-3,6-7,10,19H2.
What are the key properties of 2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 287.32 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 115850794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).