1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanol

C11H21F3N2O2 — CID 167166940

IUPAC1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanol
SMILESCC(C)(C)NC[C@H]1CN(C(O)C(F)(F)F)CCO1
InChIInChI=1S/C11H21F3N2O2/c1-10(2,3)15-6-8-7-16(4-5-18-8)9(17)11(12,13)14/h8-9,15,17H,4-7H2,1-3H3/t8-,9?/m0/s1
InChIKeyJEEXRTNLCJPZTD-IENPIDJESA-N
MW270.29 g/mol
LogP0.96
Rot. Bonds3

About 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanol

1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanol (PubChem CID 167166940) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanol
PubChem CID167166940
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanol
SMILESCC(C)(C)NC[C@H]1CN(C(O)C(F)(F)F)CCO1
InChIInChI=1S/C11H21F3N2O2/c1-10(2,3)15-6-8-7-16(4-5-18-8)9(17)11(12,13)14/h8-9,15,17H,4-7H2,1-3H3/t8-,9?/m0/s1
InChIKeyJEEXRTNLCJPZTD-IENPIDJESA-N
XLogP0.96
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Methylamino)-3-(morpholin-4-yl)propan-2-ol
CID 4001215
1-Amino-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 16788372
1-[4-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol
CID 56779871
3-[[1-[3-(Tert-butylamino)-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropan-2-yl]amino]butan-2-ol
CID 134533548
N-[[4-(2-fluoropropyl)morpholin-2-yl]methyl]-2-methylpropan-2-amine
CID 157623055
N-[[4-(2,2-difluoroethyl)morpholin-2-yl]methyl]-2-methylpropan-2-amine
CID 159141091
N-[[4-(2-fluoroethyl)morpholin-2-yl]methyl]-2-methylpropan-2-amine
CID 160744846
2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 162424213
1-[(2R)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone
CID 162424214
1-[2-[(Tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone
CID 162424230
2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 162424247
1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone
CID 162424371

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanol (CID 167166940) is 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanol is CC(C)(C)NC[C@H]1CN(C(O)C(F)(F)F)CCO1.
What is the InChIKey of 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanol?
The InChIKey is JEEXRTNLCJPZTD-IENPIDJESA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-10(2,3)15-6-8-7-16(4-5-18-8)9(17)11(12,13)14/h8-9,15,17H,4-7H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanol?
1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanol has a molecular weight of 270.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 167166940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).