(1,3-Benzodioxol-5-ylmethyl)[4-(methylthio)benzyl]amine

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Basic information

CAS: 355816-47-6
Standard SMILES: CSc1ccc(CNCc2ccc3c(c2)OCO3)cc1
InChIKey: XGAZJZDLJSKGCA-UHFFFAOYSA-N
Molecular formula: C16H17NO2S
Average molar mass: 287.4 g/mol
Monoisotopic mass: 287.09799996

Names & identifiers

Preferred name: (1,3-Benzodioxol-5-ylmethyl)[4-(methylthio)benzyl]amine
IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine

Names & synonyms

355816-47-6(1,3-BENZODIOXOL-5-YLMETHYL)[4-(METHYLTHIO)BENZYL]AMINEN-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylsulfanylphenyl)methanamineOprea1_008727Oprea1_351704CHEMBL1624778DTXSID00353366STK145816AKOS001664307DB-179042ST45158762AG-690/12619844

Show more names

1-(1,3-benzodioxol-5-yl)-N-[4-(methylsulfanyl)benzyl]methanamine1-(Benzo[d][1,3]dioxol-5-yl)-N-(4-(methylthio)benzyl)methanamineN-(1,3-benzodioxol-5-ylmethyl)-N-[4-(methylsulfanyl)benzyl]amine1-(2H-1,3-Benzodioxol-5-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}methanamine1-(2H-1,3-benzodioxol-5-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}methanamine--oxalic acid (1/1)

Database identifiers

CAS: 355816-47-6
PubChem CID: 738604
DTXSID: DTXSID00353366
ChEMBL: CHEMBL1624778

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 294

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Compound notes

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