1-[5-(methoxymethyl)furan-2-yl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C12H18F3NO3 — CID 103207957

IUPAC1-[5-(methoxymethyl)furan-2-yl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNC(CCOCC(F)(F)F)c1ccc(COC)o1
InChIInChI=1S/C12H18F3NO3/c1-16-10(5-6-18-8-12(13,14)15)11-4-3-9(19-11)7-17-2/h3-4,10,16H,5-8H2,1-2H3
InChIKeyNGVLJQZPJHHFMJ-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.66
Rot. Bonds8

About 1-[5-(methoxymethyl)furan-2-yl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-[5-(methoxymethyl)furan-2-yl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103207957) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-[5-(methoxymethyl)furan-2-yl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-[5-(methoxymethyl)furan-2-yl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103207957
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Name1-[5-(methoxymethyl)furan-2-yl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNC(CCOCC(F)(F)F)c1ccc(COC)o1
InChIInChI=1S/C12H18F3NO3/c1-16-10(5-6-18-8-12(13,14)15)11-4-3-9(19-11)7-17-2/h3-4,10,16H,5-8H2,1-2H3
InChIKeyNGVLJQZPJHHFMJ-UHFFFAOYSA-N
XLogP2.66
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[5-(methoxymethyl)furan-2-yl]-N-methyl-3-(2,2,2-trifluoroethoxy)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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(methoxymethyl)furan-2-yl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-[5-(methoxymethyl)furan-2-yl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103207957) is 1-[5-(methoxymethyl)furan-2-yl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-[5-(methoxymethyl)furan-2-yl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-[5-(methoxymethyl)furan-2-yl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CNC(CCOCC(F)(F)F)c1ccc(COC)o1.
What is the InChIKey of 1-[5-(methoxymethyl)furan-2-yl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is NGVLJQZPJHHFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3/c1-16-10(5-6-18-8-12(13,14)15)11-4-3-9(19-11)7-17-2/h3-4,10,16H,5-8H2,1-2H3.
What are the key properties of 1-[5-(methoxymethyl)furan-2-yl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-[5-(methoxymethyl)furan-2-yl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 281.27 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methoxymethyl)furan-2-yl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103207957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).