2-[propan-2-yl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]ethanol

C9H19F3N2O — CID 176601530

IUPAC2-[propan-2-yl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]ethanol
SMILESCC(C)N(CCO)CCNCC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-8(2)14(5-6-15)4-3-13-7-9(10,11)12/h8,13,15H,3-7H2,1-2H3
InChIKeyFIBMRDPQUDIJJB-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.84
Rot. Bonds7

About 2-[propan-2-yl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]ethanol

2-[propan-2-yl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]ethanol (PubChem CID 176601530) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-[propan-2-yl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[propan-2-yl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]ethanol
PubChem CID176601530
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name2-[propan-2-yl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]ethanol
SMILESCC(C)N(CCO)CCNCC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-8(2)14(5-6-15)4-3-13-7-9(10,11)12/h8,13,15H,3-7H2,1-2H3
InChIKeyFIBMRDPQUDIJJB-UHFFFAOYSA-N
XLogP0.84
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

N',N'-diethyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]ethane-1,2-diamine
CID 62554657
2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106513185
2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol
CID 62272801
N',N'-dibutyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55085121
2-N,2-N-dipropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62558170
N-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine
CID 176601082
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924472
2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-propan-2-ylamino]ethanol
CID 62271517
N'-methyl-N'-(2-methylsulfonylethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79858313
N-carbamoyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide
CID 60706598
2-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol
CID 103069967
5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 62228231

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]ethanol?
The IUPAC name of 2-[propan-2-yl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]ethanol (CID 176601530) is 2-[propan-2-yl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]ethanol.
What is the SMILES notation for 2-[propan-2-yl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]ethanol?
The canonical SMILES for 2-[propan-2-yl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]ethanol is CC(C)N(CCO)CCNCC(F)(F)F.
What is the InChIKey of 2-[propan-2-yl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]ethanol?
The InChIKey is FIBMRDPQUDIJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-8(2)14(5-6-15)4-3-13-7-9(10,11)12/h8,13,15H,3-7H2,1-2H3.
What are the key properties of 2-[propan-2-yl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]ethanol?
2-[propan-2-yl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]ethanol has a molecular weight of 228.26 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]ethanol is sourced from PubChem (CID 176601530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).