2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol

C15H21F2NO2 — CID 64911588

IUPAC2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
SMILESOC(CNCC1CCCCC1O)c1c(F)cccc1F
InChIInChI=1S/C15H21F2NO2/c16-11-5-3-6-12(17)15(11)14(20)9-18-8-10-4-1-2-7-13(10)19/h3,5-6,10,13-14,18-20H,1-2,4,7-9H2
InChIKeyDTVHBMJOIXIFIQ-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.14
Rot. Bonds5

About 2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol

2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol (PubChem CID 64911588) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
PubChem CID64911588
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
SMILESOC(CNCC1CCCCC1O)c1c(F)cccc1F
InChIInChI=1S/C15H21F2NO2/c16-11-5-3-6-12(17)15(11)14(20)9-18-8-10-4-1-2-7-13(10)19/h3,5-6,10,13-14,18-20H,1-2,4,7-9H2
InChIKeyDTVHBMJOIXIFIQ-UHFFFAOYSA-N
XLogP2.14
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol
CID 63683000
2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926870
1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol
CID 63711662
1-(2,6-difluorophenyl)-2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol
CID 104934482
2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol
CID 60896945
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 111451652
2-[[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 64912849
2-(1-cyclohexylpropylamino)-1-(2,6-difluorophenyl)ethanol
CID 62406831
2-[(2,6-difluorophenyl)methyl]cyclohexan-1-ol
CID 114933070
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674
1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol
CID 63794992

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol (CID 64911588) is 2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol is OC(CNCC1CCCCC1O)c1c(F)cccc1F.
What is the InChIKey of 2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is DTVHBMJOIXIFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c16-11-5-3-6-12(17)15(11)14(20)9-18-8-10-4-1-2-7-13(10)19/h3,5-6,10,13-14,18-20H,1-2,4,7-9H2.
What are the key properties of 2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 285.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64911588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).