4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine

C11H22F3NO2 — CID 55260683

IUPAC4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-9(7-10(2,3)16-4)15-5-6-17-8-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyMOUVSIZWRZQWFL-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.36
Rot. Bonds8

About 4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine

4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine (PubChem CID 55260683) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
PubChem CID55260683
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC Name4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-9(7-10(2,3)16-4)15-5-6-17-8-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyMOUVSIZWRZQWFL-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-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 4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine (CID 55260683) is 4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine is COC(C)(C)CC(C)NCCOCC(F)(F)F.
What is the InChIKey of 4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine?
The InChIKey is MOUVSIZWRZQWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2/c1-9(7-10(2,3)16-4)15-5-6-17-8-11(12,13)14/h9,15H,5-8H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine?
4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine has a molecular weight of 257.30 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine is sourced from PubChem (CID 55260683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).