2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

C10H19F3N2O2 — CID 107486880

IUPAC2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNC1CCOCC1CN(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c11-10(12,13)7-15(2-3-16)5-8-6-17-4-1-9(8)14/h8-9,16H,1-7,14H2
InChIKeyWWVDWSPUZLFQSP-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.21
Rot. Bonds5

About 2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107486880) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107486880
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNC1CCOCC1CN(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c11-10(12,13)7-15(2-3-16)5-8-6-17-4-1-9(8)14/h8-9,16H,1-7,14H2
InChIKeyWWVDWSPUZLFQSP-UHFFFAOYSA-N
XLogP0.21
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(diethylaminomethyl)oxan-4-amine
CID 83619174
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
CID 66236322
6-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 107487240
2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol
CID 62021134
N'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 103061096
2-[oxan-3-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 103748156
4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 63494955
2-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486962
4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol
CID 103060860
3-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 106468961
3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-amine
CID 103059949
3-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-amine
CID 103060776

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107486880) is 2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is NC1CCOCC1CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is WWVDWSPUZLFQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c11-10(12,13)7-15(2-3-16)5-8-6-17-4-1-9(8)14/h8-9,16H,1-7,14H2.
What are the key properties of 2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 256.27 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107486880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).