3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol

C12H17F3N2O — CID 106171147

IUPAC3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
SMILESCCC(C)(CCO)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N2O/c1-3-11(2,7-8-18)17-10-6-4-5-9(16-10)12(13,14)15/h4-6,18H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyCFDJIFHVUYFSFJ-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.06
Rot. Bonds5

About 3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol

3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol (PubChem CID 106171147) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
PubChem CID106171147
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
SMILESCCC(C)(CCO)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N2O/c1-3-11(2,7-8-18)17-10-6-4-5-9(16-10)12(13,14)15/h4-6,18H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyCFDJIFHVUYFSFJ-UHFFFAOYSA-N
XLogP3.06
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-methoxy-2-pyridinyl)amino]-3-methylpentan-1-ol
CID 106171463
3-methyl-3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106179204
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103768343
3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol
CID 106171523
3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 64699610
6-bromo-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106330912
2-[[6-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol
CID 65314262
N-octyl-6-(trifluoromethyl)pyridin-2-amine
CID 115568965
3-[(6-aminopyridazin-3-yl)amino]-3-methylpentan-1-ol
CID 106174456
2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 51063993
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136849675
3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106178744

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
The IUPAC name of 3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol (CID 106171147) is 3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol.
What is the SMILES notation for 3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
The canonical SMILES for 3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol is CCC(C)(CCO)Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of 3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
The InChIKey is CFDJIFHVUYFSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-3-11(2,7-8-18)17-10-6-4-5-9(16-10)12(13,14)15/h4-6,18H,3,7-8H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol has a molecular weight of 262.27 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol is sourced from PubChem (CID 106171147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).