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

C11H23F3N2O — CID 55011658

IUPAC1-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCC(C)NCC(O)CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H23F3N2O/c1-8(2)15-5-10(17)6-16(9(3)4)7-11(12,13)14/h8-10,15,17H,5-7H2,1-4H3
InChIKeyOUNIEZJYRJTJLT-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.62
Rot. Bonds7

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

1-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol (PubChem CID 55011658) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
PubChem CID55011658
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name1-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCC(C)NCC(O)CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H23F3N2O/c1-8(2)15-5-10(17)6-16(9(3)4)7-11(12,13)14/h8-10,15,17H,5-7H2,1-4H3
InChIKeyOUNIEZJYRJTJLT-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

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The IUPAC name of 1-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol (CID 55011658) is 1-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol is CC(C)NCC(O)CN(CC(F)(F)F)C(C)C.
What is the InChIKey of 1-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The InChIKey is OUNIEZJYRJTJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-8(2)15-5-10(17)6-16(9(3)4)7-11(12,13)14/h8-10,15,17H,5-7H2,1-4H3.
What are the key properties of 1-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
1-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]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 1-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 55011658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).