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

C14H26F3NO2 — CID 62719936

IUPAC2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(CCCOCC(F)(F)F)CCOC1
InChIInChI=1S/C14H26F3NO2/c1-12(2,3)18-9-13(6-8-20-10-13)5-4-7-19-11-14(15,16)17/h18H,4-11H2,1-3H3
InChIKeyMHLDJDFVGOZORN-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.14
Rot. Bonds7

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

2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 62719936) has the molecular formula C14H26F3NO2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID62719936
Molecular FormulaC14H26F3NO2
Molecular Weight297.36 g/mol
Exact Mass297.19
IUPAC Name2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(CCCOCC(F)(F)F)CCOC1
InChIInChI=1S/C14H26F3NO2/c1-12(2,3)18-9-13(6-8-20-10-13)5-4-7-19-11-14(15,16)17/h18H,4-11H2,1-3H3
InChIKeyMHLDJDFVGOZORN-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.14
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-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-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 2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine (CID 62719936) is 2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine is CC(C)(C)NCC1(CCCOCC(F)(F)F)CCOC1.
What is the InChIKey of 2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is MHLDJDFVGOZORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO2/c1-12(2,3)18-9-13(6-8-20-10-13)5-4-7-19-11-14(15,16)17/h18H,4-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 297.36 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62719936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).