3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol

C11H23F3N2O — CID 63900204

IUPAC3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCC(C)CN(CCN(C)C)CC(O)C(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-9(2)7-16(6-5-15(3)4)8-10(17)11(12,13)14/h9-10,17H,5-8H2,1-4H3
InChIKeyNPZPUWLLFPTIMN-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.43
Rot. Bonds7

About 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol

3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63900204) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID63900204
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCC(C)CN(CCN(C)C)CC(O)C(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-9(2)7-16(6-5-15(3)4)8-10(17)11(12,13)14/h9-10,17H,5-8H2,1-4H3
InChIKeyNPZPUWLLFPTIMN-UHFFFAOYSA-N
XLogP1.43
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol (CID 63900204) is 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol is CC(C)CN(CCN(C)C)CC(O)C(F)(F)F.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is NPZPUWLLFPTIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-9(2)7-16(6-5-15(3)4)8-10(17)11(12,13)14/h9-10,17H,5-8H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 256.31 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63900204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).