2-methoxy-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine

C11H20F3NO — CID 105165661

IUPAC2-methoxy-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCNC(COC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-15-10(7-16-2)8-4-3-5-9(6-8)11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyKWSSRSKJPQUTGQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.59
Rot. Bonds4

About 2-methoxy-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine

2-methoxy-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105165661) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-methoxy-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105165661
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-methoxy-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCNC(COC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-15-10(7-16-2)8-4-3-5-9(6-8)11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyKWSSRSKJPQUTGQ-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-methoxy-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine (CID 105165661) is 2-methoxy-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine is CNC(COC)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-methoxy-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is KWSSRSKJPQUTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-15-10(7-16-2)8-4-3-5-9(6-8)11(12,13)14/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 2-methoxy-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
2-methoxy-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 239.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105165661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).