2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol

C16H23F2NO2 — CID 111114276

IUPAC2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol
SMILESOCCN(CC(O)c1ccc(F)cc1F)C1CCCCC1
InChIInChI=1S/C16H23F2NO2/c17-12-6-7-14(15(18)10-12)16(21)11-19(8-9-20)13-4-2-1-3-5-13/h6-7,10,13,16,20-21H,1-5,8-9,11H2
InChIKeyNNPNKPQGNIQYGQ-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.63
Rot. Bonds6

About 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol

2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol (PubChem CID 111114276) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol
PubChem CID111114276
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol
SMILESOCCN(CC(O)c1ccc(F)cc1F)C1CCCCC1
InChIInChI=1S/C16H23F2NO2/c17-12-6-7-14(15(18)10-12)16(21)11-19(8-9-20)13-4-2-1-3-5-13/h6-7,10,13,16,20-21H,1-5,8-9,11H2
InChIKeyNNPNKPQGNIQYGQ-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-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111107126
2-[cyclopropyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 110897810
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol
CID 111114317
4-[cyclopropyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]butan-1-ol
CID 111565156
2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol
CID 82217055
2-[(2-chloro-4-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 60694126
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 62036284
3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol
CID 61088667
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 65139431
2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol
CID 102676936
2-[cyclohexyl(2,2-difluoroethyl)amino]ethanol
CID 62016408
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 60981296

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol (CID 111114276) is 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol is OCCN(CC(O)c1ccc(F)cc1F)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol?
The InChIKey is NNPNKPQGNIQYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c17-12-6-7-14(15(18)10-12)16(21)11-19(8-9-20)13-4-2-1-3-5-13/h6-7,10,13,16,20-21H,1-5,8-9,11H2.
What are the key properties of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol?
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-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-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 111114276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).