1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol

C16H23F2NO2 — CID 65116017

IUPAC1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCC(O)c2c(F)cccc2F)CC1
InChIInChI=1S/C16H23F2NO2/c1-11-5-7-16(21,8-6-11)10-19-9-14(20)15-12(17)3-2-4-13(15)18/h2-4,11,14,19-21H,5-10H2,1H3
InChIKeyXPFUUNBFVVSVKJ-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.53
Rot. Bonds5

About 1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol

1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 65116017) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID65116017
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCC(O)c2c(F)cccc2F)CC1
InChIInChI=1S/C16H23F2NO2/c1-11-5-7-16(21,8-6-11)10-19-9-14(20)15-12(17)3-2-4-13(15)18/h2-4,11,14,19-21H,5-10H2,1H3
InChIKeyXPFUUNBFVVSVKJ-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-(3-bromophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65116445
1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65120546
1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115406
1-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65115912
1-(2,6-difluorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]ethanol
CID 107163546
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674
4-ethyl-1-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 65118485
1-(2,6-difluorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol
CID 62551674
1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115762
1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285685
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
[1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol
CID 79137858

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol (CID 65116017) is 1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNCC(O)c2c(F)cccc2F)CC1.
What is the InChIKey of 1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is XPFUUNBFVVSVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-11-5-7-16(21,8-6-11)10-19-9-14(20)15-12(17)3-2-4-13(15)18/h2-4,11,14,19-21H,5-10H2,1H3.
What are the key properties of 1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol?
1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol 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-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65116017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).