2-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propoxy]ethanol

C11H16F3N3O2 — CID 106308969

IUPAC2-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propoxy]ethanol
SMILESNc1cnc(C(F)(F)F)cc1NCCCOCCO
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)10-6-9(8(15)7-17-10)16-2-1-4-19-5-3-18/h6-7,18H,1-5,15H2,(H,16,17)
InChIKeyRERSFLMZICBEBT-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.49
Rot. Bonds7

About 2-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propoxy]ethanol

2-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propoxy]ethanol (PubChem CID 106308969) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propoxy]ethanol
PubChem CID106308969
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name2-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propoxy]ethanol
SMILESNc1cnc(C(F)(F)F)cc1NCCCOCCO
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)10-6-9(8(15)7-17-10)16-2-1-4-19-5-3-18/h6-7,18H,1-5,15H2,(H,16,17)
InChIKeyRERSFLMZICBEBT-UHFFFAOYSA-N
XLogP1.49
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol
CID 106141475
4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747365
N-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide
CID 106333885
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747673
4-N-(3-pyrazol-1-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106748029
4-N-(4-imidazol-1-ylbutyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747604
4-N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106182590
4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106393855
4-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106290011
2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol
CID 106308989
4-N-(2-ethoxypropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106748056
1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141985

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propoxy]ethanol?
The IUPAC name of 2-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propoxy]ethanol (CID 106308969) is 2-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propoxy]ethanol?
The canonical SMILES for 2-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propoxy]ethanol is Nc1cnc(C(F)(F)F)cc1NCCCOCCO.
What is the InChIKey of 2-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propoxy]ethanol?
The InChIKey is RERSFLMZICBEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c12-11(13,14)10-6-9(8(15)7-17-10)16-2-1-4-19-5-3-18/h6-7,18H,1-5,15H2,(H,16,17).
What are the key properties of 2-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propoxy]ethanol?
2-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propoxy]ethanol has a molecular weight of 279.26 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propoxy]ethanol is sourced from PubChem (CID 106308969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).