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

C9H19F3N2O2 — CID 118190059

IUPAC(2S)-1-[methyl-[2-(methylamino)ethyl]amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESCNCCN(C)C[C@H](O)COCC(F)(F)F
InChIInChI=1S/C9H19F3N2O2/c1-13-3-4-14(2)5-8(15)6-16-7-9(10,11)12/h8,13,15H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyMTRIVJMZICRRBL-QMMMGPOBSA-N
MW244.26 g/mol
LogP0.08
Rot. Bonds8

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

(2S)-1-[methyl-[2-(methylamino)ethyl]amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol (PubChem CID 118190059) has the molecular formula C9H19F3N2O2 and a molecular weight of 244.26 g/mol. Its IUPAC name is (2S)-1-[methyl-[2-(methylamino)ethyl]amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[methyl-[2-(methylamino)ethyl]amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol
PubChem CID118190059
Molecular FormulaC9H19F3N2O2
Molecular Weight244.26 g/mol
Exact Mass244.14
IUPAC Name(2S)-1-[methyl-[2-(methylamino)ethyl]amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESCNCCN(C)C[C@H](O)COCC(F)(F)F
InChIInChI=1S/C9H19F3N2O2/c1-13-3-4-14(2)5-8(15)6-16-7-9(10,11)12/h8,13,15H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyMTRIVJMZICRRBL-QMMMGPOBSA-N
XLogP0.08
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[methyl-[2-(methylamino)ethyl]amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The IUPAC name of (2S)-1-[methyl-[2-(methylamino)ethyl]amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol (CID 118190059) is (2S)-1-[methyl-[2-(methylamino)ethyl]amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[methyl-[2-(methylamino)ethyl]amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[methyl-[2-(methylamino)ethyl]amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol is CNCCN(C)C[C@H](O)COCC(F)(F)F.
What is the InChIKey of (2S)-1-[methyl-[2-(methylamino)ethyl]amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The InChIKey is MTRIVJMZICRRBL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19F3N2O2/c1-13-3-4-14(2)5-8(15)6-16-7-9(10,11)12/h8,13,15H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1-[methyl-[2-(methylamino)ethyl]amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol?
(2S)-1-[methyl-[2-(methylamino)ethyl]amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol has a molecular weight of 244.26 g/mol, XLogP of 0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[methyl-[2-(methylamino)ethyl]amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol is sourced from PubChem (CID 118190059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).