2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butan-1-ol

C13H27F3N2O — CID 64825892

IUPAC2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butan-1-ol
SMILESCCCNC(C)(CO)CCN(CCC)CC(F)(F)F
InChIInChI=1S/C13H27F3N2O/c1-4-7-17-12(3,11-19)6-9-18(8-5-2)10-13(14,15)16/h17,19H,4-11H2,1-3H3
InChIKeyCCBZVSAEABRYFG-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.40
Rot. Bonds10

About 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butan-1-ol

2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butan-1-ol (PubChem CID 64825892) has the molecular formula C13H27F3N2O and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butan-1-ol
PubChem CID64825892
Molecular FormulaC13H27F3N2O
Molecular Weight284.37 g/mol
Exact Mass284.21
IUPAC Name2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butan-1-ol
SMILESCCCNC(C)(CO)CCN(CCC)CC(F)(F)F
InChIInChI=1S/C13H27F3N2O/c1-4-7-17-12(3,11-19)6-9-18(8-5-2)10-13(14,15)16/h17,19H,4-11H2,1-3H3
InChIKeyCCBZVSAEABRYFG-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butan-1-ol?
The IUPAC name of 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butan-1-ol (CID 64825892) is 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butan-1-ol.
What is the SMILES notation for 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butan-1-ol?
The canonical SMILES for 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butan-1-ol is CCCNC(C)(CO)CCN(CCC)CC(F)(F)F.
What is the InChIKey of 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butan-1-ol?
The InChIKey is CCBZVSAEABRYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3N2O/c1-4-7-17-12(3,11-19)6-9-18(8-5-2)10-13(14,15)16/h17,19H,4-11H2,1-3H3.
What are the key properties of 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butan-1-ol?
2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butan-1-ol has a molecular weight of 284.37 g/mol, XLogP of 2.40, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butan-1-ol is sourced from PubChem (CID 64825892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).