2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine

C13H24F3NO2 — CID 62718369

IUPAC2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCOCC(F)(F)F)CCOC1
InChIInChI=1S/C13H24F3NO2/c1-11(2)7-17-8-12(3-5-18-9-12)4-6-19-10-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyACEZEYNUNMWZHI-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.61
Rot. Bonds8

About 2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine

2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62718369) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID62718369
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCOCC(F)(F)F)CCOC1
InChIInChI=1S/C13H24F3NO2/c1-11(2)7-17-8-12(3-5-18-9-12)4-6-19-10-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyACEZEYNUNMWZHI-UHFFFAOYSA-N
XLogP2.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-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

Related Compounds

CID 166470499
CID 166470499
CID 55106897
CID 55106897
CID 62718191
CID 62718191
CID 62718672
CID 62718672
CID 62718860
CID 62718860
CID 62719202
CID 62719202
CID 62719342
CID 62719342
CID 62719374
CID 62719374
CID 62719393
CID 62719393
CID 62719916
CID 62719916
CID 62720272
CID 62720272
CID 62720293
CID 62720293

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine (CID 62718369) is 2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine is CC(C)CNCC1(CCOCC(F)(F)F)CCOC1.
What is the InChIKey of 2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is ACEZEYNUNMWZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-11(2)7-17-8-12(3-5-18-9-12)4-6-19-10-13(14,15)16/h11,17H,3-10H2,1-2H3.
What are the key properties of 2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 283.33 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62718369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).