2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]cyclohexan-1-ol

C15H20F3NO2 — CID 62358371

IUPAC2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]cyclohexan-1-ol
SMILESOC(CNC1CCCCC1O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO2/c16-15(17,18)11-5-3-4-10(8-11)14(21)9-19-12-6-1-2-7-13(12)20/h3-5,8,12-14,19-21H,1-2,6-7,9H2
InChIKeyRULORHNTHLBAFS-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.63
Rot. Bonds4

About 2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]cyclohexan-1-ol

2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]cyclohexan-1-ol (PubChem CID 62358371) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]cyclohexan-1-ol
PubChem CID62358371
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]cyclohexan-1-ol
SMILESOC(CNC1CCCCC1O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO2/c16-15(17,18)11-5-3-4-10(8-11)14(21)9-19-12-6-1-2-7-13(12)20/h3-5,8,12-14,19-21H,1-2,6-7,9H2
InChIKeyRULORHNTHLBAFS-UHFFFAOYSA-N
XLogP2.63
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
1-cyclopropyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 111108599
cyclobutyl-[3-(trifluoromethyl)phenyl]methanol
CID 64986539
2-(thian-2-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 80595597
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71979033
2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 103917723
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide
CID 111108754
3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 117243219
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2-methylcyclopropyl)urea
CID 111108610
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol
CID 23467209
piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol
CID 11392289

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]cyclohexan-1-ol (CID 62358371) is 2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]cyclohexan-1-ol is OC(CNC1CCCCC1O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]cyclohexan-1-ol?
The InChIKey is RULORHNTHLBAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c16-15(17,18)11-5-3-4-10(8-11)14(21)9-19-12-6-1-2-7-13(12)20/h3-5,8,12-14,19-21H,1-2,6-7,9H2.
What are the key properties of 2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]cyclohexan-1-ol?
2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]cyclohexan-1-ol has a molecular weight of 303.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 62358371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).