1,2,2-trimethyl-5-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol

C16H23F3N2O — CID 123995011

IUPAC1,2,2-trimethyl-5-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(CNc2cccc(C(F)(F)F)n2)CC1(C)O
InChIInChI=1S/C16H23F3N2O/c1-14(2)8-7-11(9-15(14,3)22)10-20-13-6-4-5-12(21-13)16(17,18)19/h4-6,11,22H,7-10H2,1-3H3,(H,20,21)
InChIKeyBNVNJVSUJSSXAL-UHFFFAOYSA-N
MW316.37 g/mol
LogP4.09
Rot. Bonds3

About 1,2,2-trimethyl-5-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol

1,2,2-trimethyl-5-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol (PubChem CID 123995011) has the molecular formula C16H23F3N2O and a molecular weight of 316.37 g/mol. Its IUPAC name is 1,2,2-trimethyl-5-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1,2,2-trimethyl-5-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
PubChem CID123995011
Molecular FormulaC16H23F3N2O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC Name1,2,2-trimethyl-5-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(CNc2cccc(C(F)(F)F)n2)CC1(C)O
InChIInChI=1S/C16H23F3N2O/c1-14(2)8-7-11(9-15(14,3)22)10-20-13-6-4-5-12(21-13)16(17,18)19/h4-6,11,22H,7-10H2,1-3H3,(H,20,21)
InChIKeyBNVNJVSUJSSXAL-UHFFFAOYSA-N
XLogP4.09
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-5-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1,2,2-trimethyl-5-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol (CID 123995011) is 1,2,2-trimethyl-5-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1,2,2-trimethyl-5-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1,2,2-trimethyl-5-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol is CC1(C)CCC(CNc2cccc(C(F)(F)F)n2)CC1(C)O.
What is the InChIKey of 1,2,2-trimethyl-5-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is BNVNJVSUJSSXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O/c1-14(2)8-7-11(9-15(14,3)22)10-20-13-6-4-5-12(21-13)16(17,18)19/h4-6,11,22H,7-10H2,1-3H3,(H,20,21).
What are the key properties of 1,2,2-trimethyl-5-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol?
1,2,2-trimethyl-5-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 316.37 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-5-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 123995011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).