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

C15H21F2NO2 — CID 104934482

IUPAC1-(2,6-difluorophenyl)-2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol
SMILESOCC1CCCCC1NCC(O)c1c(F)cccc1F
InChIInChI=1S/C15H21F2NO2/c16-11-5-3-6-12(17)15(11)14(20)8-18-13-7-2-1-4-10(13)9-19/h3,5-6,10,13-14,18-20H,1-2,4,7-9H2
InChIKeyIRVROIYTZDKGBC-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.14
Rot. Bonds5

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

1-(2,6-difluorophenyl)-2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol (PubChem CID 104934482) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol
PubChem CID104934482
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name1-(2,6-difluorophenyl)-2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol
SMILESOCC1CCCCC1NCC(O)c1c(F)cccc1F
InChIInChI=1S/C15H21F2NO2/c16-11-5-3-6-12(17)15(11)14(20)8-18-13-7-2-1-4-10(13)9-19/h3,5-6,10,13-14,18-20H,1-2,4,7-9H2
InChIKeyIRVROIYTZDKGBC-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

Analyze 1-(2,6-difluorophenyl)-2-[[2-(hydroxymethyl)cyclohexyl]amino]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

2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol
CID 60896945
2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 64911588
1-(2-chlorophenyl)-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 106360636
2-[[2-(hydroxymethyl)cyclohexyl]amino]-1-(3-nitrophenyl)ethanol
CID 86816929
(1S)-2-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]-1-(3-nitrophenyl)ethanol
CID 129435834
1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
CID 79871344
1-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]ethanol
CID 104531363
1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol
CID 61467080
1,1,1-trifluoro-3-[[2-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 104934387
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 111451652
[2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol
CID 103924816
4-[1-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]benzonitrile
CID 106360637

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol (CID 104934482) is 1-(2,6-difluorophenyl)-2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol is OCC1CCCCC1NCC(O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol?
The InChIKey is IRVROIYTZDKGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c16-11-5-3-6-12(17)15(11)14(20)8-18-13-7-2-1-4-10(13)9-19/h3,5-6,10,13-14,18-20H,1-2,4,7-9H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol?
1-(2,6-difluorophenyl)-2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol 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 1-(2,6-difluorophenyl)-2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol is sourced from PubChem (CID 104934482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).