2,4-dimethyl-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol

C13H19F3N2O — CID 66180973

IUPAC2,4-dimethyl-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNc1ncccc1C(F)(F)F
InChIInChI=1S/C13H19F3N2O/c1-9(2)7-12(3,19)8-18-11-10(13(14,15)16)5-4-6-17-11/h4-6,9,19H,7-8H2,1-3H3,(H,17,18)
InChIKeyLXYNIWYXJUBGCE-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.31
Rot. Bonds5

About 2,4-dimethyl-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol

2,4-dimethyl-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol (PubChem CID 66180973) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2,4-dimethyl-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
PubChem CID66180973
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name2,4-dimethyl-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNc1ncccc1C(F)(F)F
InChIInChI=1S/C13H19F3N2O/c1-9(2)7-12(3,19)8-18-11-10(13(14,15)16)5-4-6-17-11/h4-6,9,19H,7-8H2,1-3H3,(H,17,18)
InChIKeyLXYNIWYXJUBGCE-UHFFFAOYSA-N
XLogP3.31
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 104828787
3-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]butanoic acid
CID 65226846
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
CID 54942856
2,4-dimethyl-1-(pyridin-2-ylamino)pentan-2-ol
CID 66179990
1-butan-2-yl-2-[3-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 130198428
N-(2-methyl-2-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 63541640
3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
CID 66177550
2-methyl-N-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-diamine
CID 66106383
3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
CID 66179346
2,4-dimethyl-1-[(2-nitro-3-pyridinyl)amino]pentan-2-ol
CID 113424897
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol (CID 66180973) is 2,4-dimethyl-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol is CC(C)CC(C)(O)CNc1ncccc1C(F)(F)F.
What is the InChIKey of 2,4-dimethyl-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol?
The InChIKey is LXYNIWYXJUBGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-9(2)7-12(3,19)8-18-11-10(13(14,15)16)5-4-6-17-11/h4-6,9,19H,7-8H2,1-3H3,(H,17,18).
What are the key properties of 2,4-dimethyl-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol?
2,4-dimethyl-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol has a molecular weight of 276.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol is sourced from PubChem (CID 66180973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).