2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]-3-(propan-2-ylamino)propan-2-ol

C11H23F3N2O — CID 66334861

IUPAC2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)CN(C)CCC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-9(2)15-7-10(3,17)8-16(4)6-5-11(12,13)14/h9,15,17H,5-8H2,1-4H3
InChIKeyPXBJCSMVPPJUHM-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.62
Rot. Bonds7

About 2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]-3-(propan-2-ylamino)propan-2-ol

2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 66334861) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]-3-(propan-2-ylamino)propan-2-ol
PubChem CID66334861
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)CN(C)CCC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-9(2)15-7-10(3,17)8-16(4)6-5-11(12,13)14/h9,15,17H,5-8H2,1-4H3
InChIKeyPXBJCSMVPPJUHM-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]-3-(propan-2-ylamino)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 2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]-3-(propan-2-ylamino)propan-2-ol (CID 66334861) is 2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(C)(O)CN(C)CCC(F)(F)F.
What is the InChIKey of 2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is PXBJCSMVPPJUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-9(2)15-7-10(3,17)8-16(4)6-5-11(12,13)14/h9,15,17H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]-3-(propan-2-ylamino)propan-2-ol?
2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 256.31 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 66334861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).