1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol

C11H23F3N2O — CID 55011611

IUPAC1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCCCNCC(O)CN(CCC)CC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-3-5-15-7-10(17)8-16(6-4-2)9-11(12,13)14/h10,15,17H,3-9H2,1-2H3
InChIKeyIJTUHKGNBGMYRN-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.62
Rot. Bonds9

About 1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol

1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol (PubChem CID 55011611) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
PubChem CID55011611
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCCCNCC(O)CN(CCC)CC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-3-5-15-7-10(17)8-16(6-4-2)9-11(12,13)14/h10,15,17H,3-9H2,1-2H3
InChIKeyIJTUHKGNBGMYRN-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The IUPAC name of 1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol (CID 55011611) is 1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The canonical SMILES for 1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol is CCCNCC(O)CN(CCC)CC(F)(F)F.
What is the InChIKey of 1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The InChIKey is IJTUHKGNBGMYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-3-5-15-7-10(17)8-16(6-4-2)9-11(12,13)14/h10,15,17H,3-9H2,1-2H3.
What are the key properties of 1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol has a molecular weight of 256.31 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 55011611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).