1-amino-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol

C9H19F3N2O — CID 64820229

IUPAC1-amino-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCC(C)N(CC(F)(F)F)CC(C)(O)CN
InChIInChI=1S/C9H19F3N2O/c1-7(2)14(6-9(10,11)12)5-8(3,15)4-13/h7,15H,4-6,13H2,1-3H3
InChIKeyFCUYZKSRCYFVTC-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.97
Rot. Bonds5

About 1-amino-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol

1-amino-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol (PubChem CID 64820229) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-amino-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
PubChem CID64820229
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name1-amino-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCC(C)N(CC(F)(F)F)CC(C)(O)CN
InChIInChI=1S/C9H19F3N2O/c1-7(2)14(6-9(10,11)12)5-8(3,15)4-13/h7,15H,4-6,13H2,1-3H3
InChIKeyFCUYZKSRCYFVTC-UHFFFAOYSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The IUPAC name of 1-amino-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol (CID 64820229) is 1-amino-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The canonical SMILES for 1-amino-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol is CC(C)N(CC(F)(F)F)CC(C)(O)CN.
What is the InChIKey of 1-amino-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The InChIKey is FCUYZKSRCYFVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-7(2)14(6-9(10,11)12)5-8(3,15)4-13/h7,15H,4-6,13H2,1-3H3.
What are the key properties of 1-amino-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
1-amino-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol has a molecular weight of 228.26 g/mol, XLogP of 0.97, 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-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 64820229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).