4-ethyl-N-propyl-1-(2,2,2-trifluoroethoxy)octan-2-amine

C15H30F3NO — CID 103214703

IUPAC4-ethyl-N-propyl-1-(2,2,2-trifluoroethoxy)octan-2-amine
SMILESCCCCC(CC)CC(COCC(F)(F)F)NCCC
InChIInChI=1S/C15H30F3NO/c1-4-7-8-13(6-3)10-14(19-9-5-2)11-20-12-15(16,17)18/h13-14,19H,4-12H2,1-3H3
InChIKeyUXQLBPIUXTYWEH-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.54
Rot. Bonds12

About 4-ethyl-N-propyl-1-(2,2,2-trifluoroethoxy)octan-2-amine

4-ethyl-N-propyl-1-(2,2,2-trifluoroethoxy)octan-2-amine (PubChem CID 103214703) has the molecular formula C15H30F3NO and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-ethyl-N-propyl-1-(2,2,2-trifluoroethoxy)octan-2-amine.

Molecular Properties

Compound Name4-ethyl-N-propyl-1-(2,2,2-trifluoroethoxy)octan-2-amine
PubChem CID103214703
Molecular FormulaC15H30F3NO
Molecular Weight297.40 g/mol
Exact Mass297.23
IUPAC Name4-ethyl-N-propyl-1-(2,2,2-trifluoroethoxy)octan-2-amine
SMILESCCCCC(CC)CC(COCC(F)(F)F)NCCC
InChIInChI=1S/C15H30F3NO/c1-4-7-8-13(6-3)10-14(19-9-5-2)11-20-12-15(16,17)18/h13-14,19H,4-12H2,1-3H3
InChIKeyUXQLBPIUXTYWEH-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-propyl-1-(2,2,2-trifluoroethoxy)octan-2-amine?
The IUPAC name of 4-ethyl-N-propyl-1-(2,2,2-trifluoroethoxy)octan-2-amine (CID 103214703) is 4-ethyl-N-propyl-1-(2,2,2-trifluoroethoxy)octan-2-amine.
What is the SMILES notation for 4-ethyl-N-propyl-1-(2,2,2-trifluoroethoxy)octan-2-amine?
The canonical SMILES for 4-ethyl-N-propyl-1-(2,2,2-trifluoroethoxy)octan-2-amine is CCCCC(CC)CC(COCC(F)(F)F)NCCC.
What is the InChIKey of 4-ethyl-N-propyl-1-(2,2,2-trifluoroethoxy)octan-2-amine?
The InChIKey is UXQLBPIUXTYWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3NO/c1-4-7-8-13(6-3)10-14(19-9-5-2)11-20-12-15(16,17)18/h13-14,19H,4-12H2,1-3H3.
What are the key properties of 4-ethyl-N-propyl-1-(2,2,2-trifluoroethoxy)octan-2-amine?
4-ethyl-N-propyl-1-(2,2,2-trifluoroethoxy)octan-2-amine has a molecular weight of 297.40 g/mol, XLogP of 4.54, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-propyl-1-(2,2,2-trifluoroethoxy)octan-2-amine is sourced from PubChem (CID 103214703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).