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

C13H25F3N2O — CID 64826493

IUPAC2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCCCN(CC(F)(F)F)CC(CO)(NCC)C1CC1
InChIInChI=1S/C13H25F3N2O/c1-3-7-18(9-13(14,15)16)8-12(10-19,17-4-2)11-5-6-11/h11,17,19H,3-10H2,1-2H3
InChIKeyUMYHZUGUAGGCGR-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.01
Rot. Bonds9

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

2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 64826493) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID64826493
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCCCN(CC(F)(F)F)CC(CO)(NCC)C1CC1
InChIInChI=1S/C13H25F3N2O/c1-3-7-18(9-13(14,15)16)8-12(10-19,17-4-2)11-5-6-11/h11,17,19H,3-10H2,1-2H3
InChIKeyUMYHZUGUAGGCGR-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 64826493) is 2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol is CCCN(CC(F)(F)F)CC(CO)(NCC)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is UMYHZUGUAGGCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-3-7-18(9-13(14,15)16)8-12(10-19,17-4-2)11-5-6-11/h11,17,19H,3-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 282.35 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 64826493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).