2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol

C16H23F2NO2 — CID 111114317

IUPAC2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol
SMILESOCCN(CC(O)c1c(F)cccc1F)C1CCCCC1
InChIInChI=1S/C16H23F2NO2/c17-13-7-4-8-14(18)16(13)15(21)11-19(9-10-20)12-5-2-1-3-6-12/h4,7-8,12,15,20-21H,1-3,5-6,9-11H2
InChIKeySOYVXSIRXGEVDF-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.63
Rot. Bonds6

About 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol

2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol (PubChem CID 111114317) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol
PubChem CID111114317
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol
SMILESOCCN(CC(O)c1c(F)cccc1F)C1CCCCC1
InChIInChI=1S/C16H23F2NO2/c17-13-7-4-8-14(18)16(13)15(21)11-19(9-10-20)12-5-2-1-3-6-12/h4,7-8,12,15,20-21H,1-3,5-6,9-11H2
InChIKeySOYVXSIRXGEVDF-UHFFFAOYSA-N
XLogP2.63
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111114276
2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol
CID 110897812
2-[cyclohexyl(2,2-difluoroethyl)amino]ethanol
CID 62016408
2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 114858042
2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 64768267
(1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 99809966
(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol
CID 78939265
3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62617126
2-[cyclohexyl(2-hydroxyethyl)amino]-N-[2-(2,6-difluorophenyl)ethyl]acetamide
CID 111114280
2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol
CID 60896945
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 54942691
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol?
The IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol (CID 111114317) is 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol is OCCN(CC(O)c1c(F)cccc1F)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol?
The InChIKey is SOYVXSIRXGEVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c17-13-7-4-8-14(18)16(13)15(21)11-19(9-10-20)12-5-2-1-3-6-12/h4,7-8,12,15,20-21H,1-3,5-6,9-11H2.
What are the key properties of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol?
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol has a molecular weight of 299.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 111114317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).