1-[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]-N-methylmethanamine

C15H28F3NO — CID 81032226

IUPAC1-[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(CCCOCC(F)(F)F)C1
InChIInChI=1S/C15H28F3NO/c1-3-12-6-7-14(10-19-2)13(9-12)5-4-8-20-11-15(16,17)18/h12-14,19H,3-11H2,1-2H3
InChIKeyDXSRDJIEVRZQIX-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.01
Rot. Bonds8

About 1-[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]-N-methylmethanamine

1-[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]-N-methylmethanamine (PubChem CID 81032226) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]-N-methylmethanamine
PubChem CID81032226
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name1-[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(CCCOCC(F)(F)F)C1
InChIInChI=1S/C15H28F3NO/c1-3-12-6-7-14(10-19-2)13(9-12)5-4-8-20-11-15(16,17)18/h12-14,19H,3-11H2,1-2H3
InChIKeyDXSRDJIEVRZQIX-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]-N-methylmethanamine (CID 81032226) is 1-[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]-N-methylmethanamine is CCC1CCC(CNC)C(CCCOCC(F)(F)F)C1.
What is the InChIKey of 1-[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]-N-methylmethanamine?
The InChIKey is DXSRDJIEVRZQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-3-12-6-7-14(10-19-2)13(9-12)5-4-8-20-11-15(16,17)18/h12-14,19H,3-11H2,1-2H3.
What are the key properties of 1-[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]-N-methylmethanamine?
1-[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]-N-methylmethanamine has a molecular weight of 295.39 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81032226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).