1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methylcyclohexan-1-ol

C14H18BrF3N2O — CID 106796244

IUPAC1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ncc(Br)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H18BrF3N2O/c1-9-2-4-13(21,5-3-9)8-20-12-11(14(16,17)18)6-10(15)7-19-12/h6-7,9,21H,2-5,8H2,1H3,(H,19,20)
InChIKeyXTVITUNTOPFYKZ-UHFFFAOYSA-N
MW367.21 g/mol
LogP4.22
Rot. Bonds3

About 1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methylcyclohexan-1-ol

1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 106796244) has the molecular formula C14H18BrF3N2O and a molecular weight of 367.21 g/mol. Its IUPAC name is 1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID106796244
Molecular FormulaC14H18BrF3N2O
Molecular Weight367.21 g/mol
Exact Mass366.06
IUPAC Name1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ncc(Br)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H18BrF3N2O/c1-9-2-4-13(21,5-3-9)8-20-12-11(14(16,17)18)6-10(15)7-19-12/h6-7,9,21H,2-5,8H2,1H3,(H,19,20)
InChIKeyXTVITUNTOPFYKZ-UHFFFAOYSA-N
XLogP4.22
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methylcyclohexan-1-ol with MolForge

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Related Compounds

2-[4-[[[3-Bromo-5-(trifluoromethyl)pyridin-2-yl]-ethylamino]methyl]cyclohexyl]ethanol
CID 57617595
3,3,4-Trimethyl-1-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 67363133
3,3,4-Trimethyl-1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 67363219
3-bromo-5-(1,1-difluoroethyl)-N-methylpyridin-2-amine
CID 89931900
5-bromo-N-cyclohexyl-3-(trifluoromethyl)pyridin-2-amine
CID 106795899
2-[[5-Bromo-3-(trifluoromethyl)-2-pyridyl]-methylamino]ethanol
CID 106796701
1-[5-Bromo-3-(trifluoromethyl)-2-pyridinyl]-3-methylazetidin-3-ol
CID 113877942
1-[(5-Ethyl-3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol
CID 123714594
5-bromo-N-cyclohexyl-3-(difluoromethyl)pyridin-2-amine
CID 132057477
4-[[(3-Bromo-5-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 142589869
4-[(1R)-1-[(3-bromo-5-fluoro-2-pyridinyl)amino]ethyl]cyclohexan-1-ol
CID 142589992
5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;ethane;methane
CID 143399613

Frequently Asked Questions

What is the IUPAC name of 1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methylcyclohexan-1-ol (CID 106796244) is 1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNc2ncc(Br)cc2C(F)(F)F)CC1.
What is the InChIKey of 1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is XTVITUNTOPFYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N2O/c1-9-2-4-13(21,5-3-9)8-20-12-11(14(16,17)18)6-10(15)7-19-12/h6-7,9,21H,2-5,8H2,1H3,(H,19,20).
What are the key properties of 1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methylcyclohexan-1-ol?
1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 367.21 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 106796244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).