(2S)-1-[2-aminoethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol

C8H17F3N2O2 — CID 118190482

IUPAC(2S)-1-[2-aminoethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESCN(CCN)C[C@H](O)COCC(F)(F)F
InChIInChI=1S/C8H17F3N2O2/c1-13(3-2-12)4-7(14)5-15-6-8(9,10)11/h7,14H,2-6,12H2,1H3/t7-/m0/s1
InChIKeyCQRRIMMEULIJTG-ZETCQYMHSA-N
MW230.23 g/mol
LogP-0.18
Rot. Bonds7

About (2S)-1-[2-aminoethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol

(2S)-1-[2-aminoethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol (PubChem CID 118190482) has the molecular formula C8H17F3N2O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is (2S)-1-[2-aminoethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-aminoethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol
PubChem CID118190482
Molecular FormulaC8H17F3N2O2
Molecular Weight230.23 g/mol
Exact Mass230.12
IUPAC Name(2S)-1-[2-aminoethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESCN(CCN)C[C@H](O)COCC(F)(F)F
InChIInChI=1S/C8H17F3N2O2/c1-13(3-2-12)4-7(14)5-15-6-8(9,10)11/h7,14H,2-6,12H2,1H3/t7-/m0/s1
InChIKeyCQRRIMMEULIJTG-ZETCQYMHSA-N
XLogP-0.18
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[2-aminoethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)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 (2S)-1-[2-aminoethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The IUPAC name of (2S)-1-[2-aminoethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol (CID 118190482) is (2S)-1-[2-aminoethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[2-aminoethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[2-aminoethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol is CN(CCN)C[C@H](O)COCC(F)(F)F.
What is the InChIKey of (2S)-1-[2-aminoethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The InChIKey is CQRRIMMEULIJTG-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17F3N2O2/c1-13(3-2-12)4-7(14)5-15-6-8(9,10)11/h7,14H,2-6,12H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-[2-aminoethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol?
(2S)-1-[2-aminoethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol has a molecular weight of 230.23 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-aminoethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol is sourced from PubChem (CID 118190482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).