1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(cyclohexylamino)ethanol

C27H26F6N2O — CID 90669221

IUPAC1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(cyclohexylamino)ethanol
SMILESOC(CNC1CCCCC1)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C27H26F6N2O/c28-26(29,30)20-10-6-17(7-11-20)23-14-19(25(36)16-34-22-4-2-1-3-5-22)15-24(35-23)18-8-12-21(13-9-18)27(31,32)33/h6-15,22,25,34,36H,1-5,16H2
InChIKeyNXPIPPMAWHRNFJ-UHFFFAOYSA-N
MW508.51 g/mol
LogP7.41
Rot. Bonds6

About 1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(cyclohexylamino)ethanol

1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(cyclohexylamino)ethanol (PubChem CID 90669221) has the molecular formula C27H26F6N2O and a molecular weight of 508.51 g/mol. Its IUPAC name is 1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(cyclohexylamino)ethanol.

Molecular Properties

Compound Name1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(cyclohexylamino)ethanol
PubChem CID90669221
Molecular FormulaC27H26F6N2O
Molecular Weight508.51 g/mol
Exact Mass508.19
IUPAC Name1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(cyclohexylamino)ethanol
SMILESOC(CNC1CCCCC1)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C27H26F6N2O/c28-26(29,30)20-10-6-17(7-11-20)23-14-19(25(36)16-34-22-4-2-1-3-5-22)15-24(35-23)18-8-12-21(13-9-18)27(31,32)33/h6-15,22,25,34,36H,1-5,16H2
InChIKeyNXPIPPMAWHRNFJ-UHFFFAOYSA-N
XLogP7.41
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.51
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(cyclohexylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(heptylamino)ethanol
CID 90669322
1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(heptan-4-ylamino)ethanol
CID 90669218
2-[[(1S)-2-(cyclopropylmethoxy)-1-hydroxyethyl]amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol
CID 155055208
N'-cyclopentyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 117244514
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
CID 39350104
(S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 101053418
(1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol
CID 94591374
cyclooctyl-[4-(trifluoromethyl)phenyl]methanol
CID 80603410
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60900441
1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687
(1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 67344023
2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]cyclohexan-1-ol
CID 62358371

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(cyclohexylamino)ethanol?
The IUPAC name of 1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(cyclohexylamino)ethanol (CID 90669221) is 1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(cyclohexylamino)ethanol.
What is the SMILES notation for 1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(cyclohexylamino)ethanol?
The canonical SMILES for 1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(cyclohexylamino)ethanol is OC(CNC1CCCCC1)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(cyclohexylamino)ethanol?
The InChIKey is NXPIPPMAWHRNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F6N2O/c28-26(29,30)20-10-6-17(7-11-20)23-14-19(25(36)16-34-22-4-2-1-3-5-22)15-24(35-23)18-8-12-21(13-9-18)27(31,32)33/h6-15,22,25,34,36H,1-5,16H2.
What are the key properties of 1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(cyclohexylamino)ethanol?
1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(cyclohexylamino)ethanol has a molecular weight of 508.51 g/mol, XLogP of 7.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(cyclohexylamino)ethanol is sourced from PubChem (CID 90669221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).