1-cyclohexyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

C13H24F3NO — CID 113448675

IUPAC1-cyclohexyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCCNC(COC(C)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C13H24F3NO/c1-3-17-12(11-7-5-4-6-8-11)9-18-10(2)13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyHJRNWMVHNJXILJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds6

About 1-cyclohexyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

1-cyclohexyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (PubChem CID 113448675) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
PubChem CID113448675
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name1-cyclohexyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCCNC(COC(C)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C13H24F3NO/c1-3-17-12(11-7-5-4-6-8-11)9-18-10(2)13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyHJRNWMVHNJXILJ-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (CID 113448675) is 1-cyclohexyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is CCNC(COC(C)C(F)(F)F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The InChIKey is HJRNWMVHNJXILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-17-12(11-7-5-4-6-8-11)9-18-10(2)13(14,15)16/h10-12,17H,3-9H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
1-cyclohexyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is sourced from PubChem (CID 113448675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).