2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol

C16H23F2NO — CID 60896945

IUPAC2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol
SMILESOC(CNC1CCCCCCC1)c1c(F)cccc1F
InChIInChI=1S/C16H23F2NO/c17-13-9-6-10-14(18)16(13)15(20)11-19-12-7-4-2-1-3-5-8-12/h6,9-10,12,15,19-20H,1-5,7-8,11H2
InChIKeySGUMTBJNOBMSIA-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.70
Rot. Bonds4

About 2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol

2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol (PubChem CID 60896945) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol
PubChem CID60896945
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol
SMILESOC(CNC1CCCCCCC1)c1c(F)cccc1F
InChIInChI=1S/C16H23F2NO/c17-13-9-6-10-14(18)16(13)15(20)11-19-12-7-4-2-1-3-5-8-12/h6,9-10,12,15,19-20H,1-5,7-8,11H2
InChIKeySGUMTBJNOBMSIA-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol
CID 104934482
1-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]ethanol
CID 104531363
2-(1-cyclohexylpropylamino)-1-(2,6-difluorophenyl)ethanol
CID 62406831
2-[(1-benzylpiperidin-4-yl)amino]-1-(2,6-difluorophenyl)ethanol
CID 110896900
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 111451652
1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
CID 79871344
2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 64911588
1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687
2-(cyclopentylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol
CID 82121821
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60900441
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
CID 39350104
2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol
CID 70463295

Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol?
The IUPAC name of 2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol (CID 60896945) is 2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol is OC(CNC1CCCCCCC1)c1c(F)cccc1F.
What is the InChIKey of 2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol?
The InChIKey is SGUMTBJNOBMSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c17-13-9-6-10-14(18)16(13)15(20)11-19-12-7-4-2-1-3-5-8-12/h6,9-10,12,15,19-20H,1-5,7-8,11H2.
What are the key properties of 2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol?
2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol has a molecular weight of 283.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 60896945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).