N-Butyl-5-methyl-N-[(5-methyl-2-furanyl)methyl]-2-furanmethanamine

Substructure search Find similar structures

Basic information

CAS: 130539-96-7
Standard SMILES: CCCCN(Cc1ccc(C)o1)Cc1ccc(C)o1
InChIKey: GXUBMSNDKZTMMR-UHFFFAOYSA-N
Molecular formula: C16H23NO2
Average molar mass: 261.36 g/mol
Monoisotopic mass: 261.17287898

Names & identifiers

Preferred name: N-Butyl-5-methyl-N-[(5-methyl-2-furanyl)methyl]-2-furanmethanamine
IUPAC: N,N-bis[(5-methylfuran-2-yl)methyl]butan-1-amine

Names & synonyms

130539-96-7N-Butyl-5-methyl-N-[(5-methyl-2-furanyl)methyl]-2-furanmethanamineN-Butyl-5-methyl-N-((5-methyl-2-furanyl)methyl)-2-furanmethanamineRefChem:363575N,N-bis[(5-methylfuran-2-yl)methyl]butan-1-amineMLS001181283CHEMBL1353072DTXSID101165555HMS2848C15SMR000502419

Database identifiers

CAS: 130539-96-7
PubChem CID: 4597757
DTXSID: DTXSID101165555
ChEMBL: CHEMBL1353072

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 19
Formal charge: 0
Complexity: 237

Experimental & physicochemical properties

Solubility4.9 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…