1-(2,6-difluorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol

C16H23F2NO2 — CID 62551674

IUPAC1-(2,6-difluorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol
SMILESCC1CCCC(CO)(NCC(O)c2c(F)cccc2F)C1
InChIInChI=1S/C16H23F2NO2/c1-11-4-3-7-16(8-11,10-20)19-9-14(21)15-12(17)5-2-6-13(15)18/h2,5-6,11,14,19-21H,3-4,7-10H2,1H3
InChIKeyKUJQOACEFBZKRT-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.53
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol

1-(2,6-difluorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol (PubChem CID 62551674) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol
PubChem CID62551674
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name1-(2,6-difluorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol
SMILESCC1CCCC(CO)(NCC(O)c2c(F)cccc2F)C1
InChIInChI=1S/C16H23F2NO2/c1-11-4-3-7-16(8-11,10-20)19-9-14(21)15-12(17)5-2-6-13(15)18/h2,5-6,11,14,19-21H,3-4,7-10H2,1H3
InChIKeyKUJQOACEFBZKRT-UHFFFAOYSA-N
XLogP2.53
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol
CID 62551321
[3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol
CID 63051065
[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
CID 55086844
1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
CID 79871344
[1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol
CID 116789037
1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65116017
2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
CID 81479815
1-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]ethanol
CID 104531363
[3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol
CID 62551147
1-(3,4-difluorophenyl)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethanol
CID 62552347
3-chloro-2-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]phenol
CID 114318191
[3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699549

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol (CID 62551674) is 1-(2,6-difluorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol is CC1CCCC(CO)(NCC(O)c2c(F)cccc2F)C1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol?
The InChIKey is KUJQOACEFBZKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-11-4-3-7-16(8-11,10-20)19-9-14(21)15-12(17)5-2-6-13(15)18/h2,5-6,11,14,19-21H,3-4,7-10H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol?
1-(2,6-difluorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol has a molecular weight of 299.36 g/mol, XLogP of 2.53, 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-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol is sourced from PubChem (CID 62551674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).