N-(1-Methyl-2-phenylethyl)-5-((methylthio)methyl)-2-furanmethanamine

HCID 32034

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Basic information

CAS: 23656-76-0
Standard SMILES: CSCc1ccc(CNC(C)Cc2ccccc2)o1
InChIKey: JNOMFANVVIDVGS-UHFFFAOYSA-N
Molecular formula: C16H21NOS
Average molar mass: 275.4 g/mol
Monoisotopic mass: 275.13438547

Names & identifiers

Preferred name: N-(1-Methyl-2-phenylethyl)-5-((methylthio)methyl)-2-furanmethanamine
IUPAC: N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-phenylpropan-2-amine
English name: α-Methyl-N-[5-(methylthiomethyl)furfuryl]benzeneethanamine
Molecular formula: C16H21NOS
Molecular weight: 275.41

Names & synonyms

23656-76-0RefChem:1090803N-(1-Methyl-2-phenylethyl)-5-((methylthio)methyl)-2-furanmethanamineIEM-533BRN 1379996IEM 533FURFURYLAMINE, N-(alpha-METHYLPHENETHYL)-5-((METHYLTHIO)METHYL)-DTXSID609464752-Furanmethanamine, N-(1-methyl-2-phenylethyl)-5-((methylthio)methyl)-AKOS012311393N-({5-[(Methylsulfanyl)methyl]furan-2-yl}methyl)-1-phenylpropan-2-amineα-Methyl-N-[5-(methylthiomethyl)furfuryl]benzeneethanamine

Show more names

N-(α-Methylphenethyl)-5-[(methylthio)methyl]-2-furanmethanamine2-Furanmethanamine, N-(1-methyl-2-phenylethyl)-5-[(methylthio)methyl]-

Database identifiers

CAS: 23656-76-0
PubChem CID: 32034
DTXSID: DTXSID60946475
Nikkaji: J19.904D

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 50.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 19
Formal charge: 0
Complexity: 243

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