3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine

C11H20F3NO — CID 60733195

IUPAC3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(NCCOCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-9-3-2-4-10(7-9)15-5-6-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyHIACGTQAKPAUCS-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds5

About 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine

3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (PubChem CID 60733195) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
PubChem CID60733195
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(NCCOCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-9-3-2-4-10(7-9)15-5-6-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyHIACGTQAKPAUCS-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (CID 60733195) is 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is CC1CCCC(NCCOCC(F)(F)F)C1.
What is the InChIKey of 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The InChIKey is HIACGTQAKPAUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9-3-2-4-10(7-9)15-5-6-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 60733195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).