2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-propylamino]ethanol

C11H16F3N3O — CID 106747408

IUPAC2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-propylamino]ethanol
SMILESCCCN(CCO)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C11H16F3N3O/c1-2-3-17(4-5-18)9-6-10(11(12,13)14)16-7-8(9)15/h6-7,18H,2-5,15H2,1H3
InChIKeyMXKCJWNQNJQGLO-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.89
Rot. Bonds5

About 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-propylamino]ethanol

2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-propylamino]ethanol (PubChem CID 106747408) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-propylamino]ethanol
PubChem CID106747408
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-propylamino]ethanol
SMILESCCCN(CCO)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C11H16F3N3O/c1-2-3-17(4-5-18)9-6-10(11(12,13)14)16-7-8(9)15/h6-7,18H,2-5,15H2,1H3
InChIKeyMXKCJWNQNJQGLO-UHFFFAOYSA-N
XLogP1.89
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747555
2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-(2-methylpropyl)amino]acetamide
CID 106747549
4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747535
4-propylsulfonyl-6-(trifluoromethyl)pyridin-3-amine
CID 106748688
4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747375
2-(2-amino-4-bromo-N-propylanilino)ethanol
CID 61424928
2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 66330070
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol
CID 104506524
2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol
CID 112737492
4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747423
3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol
CID 106748077
4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747324

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-propylamino]ethanol?
The IUPAC name of 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-propylamino]ethanol (CID 106747408) is 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-propylamino]ethanol.
What is the SMILES notation for 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-propylamino]ethanol?
The canonical SMILES for 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-propylamino]ethanol is CCCN(CCO)c1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-propylamino]ethanol?
The InChIKey is MXKCJWNQNJQGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-2-3-17(4-5-18)9-6-10(11(12,13)14)16-7-8(9)15/h6-7,18H,2-5,15H2,1H3.
What are the key properties of 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-propylamino]ethanol?
2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-propylamino]ethanol has a molecular weight of 263.26 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-propylamino]ethanol is sourced from PubChem (CID 106747408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).