2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]ethanamine

C11H20F3NO2 — CID 66024055

IUPAC2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]ethanamine
SMILESCOCCNCC1(CCOCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2/c1-16-7-5-15-8-10(2-3-10)4-6-17-9-11(12,13)14/h15H,2-9H2,1H3
InChIKeyWPKIPSMVPWACNA-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.97
Rot. Bonds9

About 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]ethanamine

2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]ethanamine (PubChem CID 66024055) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]ethanamine
PubChem CID66024055
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]ethanamine
SMILESCOCCNCC1(CCOCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2/c1-16-7-5-15-8-10(2-3-10)4-6-17-9-11(12,13)14/h15H,2-9H2,1H3
InChIKeyWPKIPSMVPWACNA-UHFFFAOYSA-N
XLogP1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]ethanamine 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 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]ethanamine (CID 66024055) is 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]ethanamine is COCCNCC1(CCOCC(F)(F)F)CC1.
What is the InChIKey of 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]ethanamine?
The InChIKey is WPKIPSMVPWACNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-16-7-5-15-8-10(2-3-10)4-6-17-9-11(12,13)14/h15H,2-9H2,1H3.
What are the key properties of 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]ethanamine?
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]ethanamine has a molecular weight of 255.28 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 66024055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).