3-ethoxy-8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine

C14H28F3NO — CID 116721701

IUPAC3-ethoxy-8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine
SMILESCCCNC(CCCC(F)(F)F)C(OCC)C(C)C
InChIInChI=1S/C14H28F3NO/c1-5-10-18-12(8-7-9-14(15,16)17)13(11(3)4)19-6-2/h11-13,18H,5-10H2,1-4H3
InChIKeyOZAAWKYTFOWHNF-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.15
Rot. Bonds10

About 3-ethoxy-8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine

3-ethoxy-8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine (PubChem CID 116721701) has the molecular formula C14H28F3NO and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-ethoxy-8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine.

Molecular Properties

Compound Name3-ethoxy-8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine
PubChem CID116721701
Molecular FormulaC14H28F3NO
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC Name3-ethoxy-8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine
SMILESCCCNC(CCCC(F)(F)F)C(OCC)C(C)C
InChIInChI=1S/C14H28F3NO/c1-5-10-18-12(8-7-9-14(15,16)17)13(11(3)4)19-6-2/h11-13,18H,5-10H2,1-4H3
InChIKeyOZAAWKYTFOWHNF-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 55036775
N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 55036776
N,7-dimethyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine?
The IUPAC name of 3-ethoxy-8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine (CID 116721701) is 3-ethoxy-8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine.
What is the SMILES notation for 3-ethoxy-8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine?
The canonical SMILES for 3-ethoxy-8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine is CCCNC(CCCC(F)(F)F)C(OCC)C(C)C.
What is the InChIKey of 3-ethoxy-8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine?
The InChIKey is OZAAWKYTFOWHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO/c1-5-10-18-12(8-7-9-14(15,16)17)13(11(3)4)19-6-2/h11-13,18H,5-10H2,1-4H3.
What are the key properties of 3-ethoxy-8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine?
3-ethoxy-8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine has a molecular weight of 283.38 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine is sourced from PubChem (CID 116721701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).