Iem 538

HCID 32035

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Basic information

CAS: 23656-77-1
Standard SMILES: CCSCc1ccc(CNC(C)Cc2ccccc2)o1
InChIKey: RSGYZXDOXLWQTA-UHFFFAOYSA-N
Molecular formula: C17H23NOS
Average molar mass: 289.4 g/mol
Monoisotopic mass: 289.15003553

Names & identifiers

Preferred name: Iem 538
IUPAC: N-[[5-(ethylsulfanylmethyl)furan-2-yl]methyl]-1-phenylpropan-2-amine

Names & synonyms

BRN 1384000IEM-53823656-77-1IEM 5382-Furanmethanamine, 5-((ethylthio)methyl)-N-(1-methyl-2-phenylethyl)-FURFURYLAMINE, 5-((ETHYLTHIO)METHYL)-N-(alpha-METHYLPHENETHYL)-RefChem:3484672-Furanmethanamine, 5-((ethylthio)methyl)-N-(1-methyl-2-phenylethyl)-(9CI)DTXSID20946476N-({5-[(ethylsulfanyl)methyl]furan-2-yl}methyl)-1-phenylpropan-2-amine

Database identifiers

CAS: 23656-77-1
PubChem CID: 32035
DTXSID: DTXSID20946476

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 50.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 20
Formal charge: 0
Complexity: 255

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