1-amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-ol

C8H17F3N2O — CID 64819774

IUPAC1-amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-ol
SMILESCN(CCC(C)(O)CN)CC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-7(14,5-12)3-4-13(2)6-8(9,10)11/h14H,3-6,12H2,1-2H3
InChIKeyCNYTXKSRPUAWQU-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.58
Rot. Bonds5

About 1-amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-ol

1-amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-ol (PubChem CID 64819774) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-ol
PubChem CID64819774
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC Name1-amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-ol
SMILESCN(CCC(C)(O)CN)CC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-7(14,5-12)3-4-13(2)6-8(9,10)11/h14H,3-6,12H2,1-2H3
InChIKeyCNYTXKSRPUAWQU-UHFFFAOYSA-N
XLogP0.58
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-ol (CID 64819774) is 1-amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-ol is CN(CCC(C)(O)CN)CC(F)(F)F.
What is the InChIKey of 1-amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-ol?
The InChIKey is CNYTXKSRPUAWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-7(14,5-12)3-4-13(2)6-8(9,10)11/h14H,3-6,12H2,1-2H3.
What are the key properties of 1-amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-ol?
1-amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-ol has a molecular weight of 214.23 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-ol is sourced from PubChem (CID 64819774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).