1-(4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N-methylmethanamine

HCID 54868

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Basic information

CAS: 82394-09-0
Standard SMILES: CNCC1c2ccccc2CSc2c(OC)cccc21
InChIKey: QUMQGGVPNQOFAT-UHFFFAOYSA-N
Molecular formula: C17H19NOS
Average molar mass: 285.4 g/mol
Monoisotopic mass: 285.1187354

Names & identifiers

Preferred name: 1-(4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N-methylmethanamine
IUPAC: 1-(4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N-methylmethanamine

Names & synonyms

1-(4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N-methylmethanamineLF327C7ZF9DTXSID0013846356,11-Dihydro-4-methoxy-N-methyldibenzo[b,e]thiepin-11-methanamineDibenzo[b,e]thiepin-11-methanamine, 6,11-dihydro-4-methoxy-N-methyl-82394-09-0

Database identifiers

CAS: 82394-09-0
PubChem CID: 54868
DTXSID: DTXSID001384635
UNII: LF327C7ZF9

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 311

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