2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol

C9H19F3N2O — CID 107484786

IUPAC2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCNCCN(CCO)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-2-3-13-4-5-14(6-7-15)8-9(10,11)12/h13,15H,2-8H2,1H3
InChIKeyQDQHNLGZMIFJJT-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.84
Rot. Bonds8

About 2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484786) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484786
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCNCCN(CCO)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-2-3-13-4-5-14(6-7-15)8-9(10,11)12/h13,15H,2-8H2,1H3
InChIKeyQDQHNLGZMIFJJT-UHFFFAOYSA-N
XLogP0.84
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62257945
2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol
CID 55056370
N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine
CID 122700758
N'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
CID 55074202
N'-ethyl-N-hexyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089724
2-[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]ethanol
CID 103865004
2-[propyl-[3-(propylamino)propyl]amino]ethanol
CID 61424800
2-[ethyl-[3-(propylamino)propyl]amino]ethanol
CID 61387164
2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484808
2-[[2-methyl-2-(propylaminomethyl)pentyl]-propylamino]ethanol
CID 62260774
N'-ethyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555477
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide
CID 103864920

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484786) is 2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol is CCCNCCN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is QDQHNLGZMIFJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-2-3-13-4-5-14(6-7-15)8-9(10,11)12/h13,15H,2-8H2,1H3.
What are the key properties of 2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 228.26 g/mol, XLogP of 0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).