2-ethoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine

C11H20F3NO — CID 105165224

IUPAC2-ethoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCCOCC(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-2-16-7-10(15)8-3-5-9(6-4-8)11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyOTTRXZADXFALJT-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.72
Rot. Bonds4

About 2-ethoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine

2-ethoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105165224) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-ethoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105165224
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-ethoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCCOCC(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-2-16-7-10(15)8-3-5-9(6-4-8)11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyOTTRXZADXFALJT-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-ethoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (CID 105165224) is 2-ethoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-ethoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-ethoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is CCOCC(N)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-ethoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is OTTRXZADXFALJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-16-7-10(15)8-3-5-9(6-4-8)11(12,13)14/h8-10H,2-7,15H2,1H3.
What are the key properties of 2-ethoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
2-ethoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 239.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105165224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).