8-(o-Chlorodiphenyl)methyl-3-methyl-3,8-diazabicyclo(3.2.1)octane

HCID 45844

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Basic information

CAS: 63978-18-7
Standard SMILES: CN1CC2CCC(C1)N2C(c1ccccc1)c1ccccc1Cl
InChIKey: GBSHACQSHDFSEP-UHFFFAOYSA-N
Molecular formula: C20H23ClN2
Average molar mass: 326.9 g/mol
Monoisotopic mass: 326.1549764

Names & identifiers

Preferred name: 8-(o-Chlorodiphenyl)methyl-3-methyl-3,8-diazabicyclo(3.2.1)octane
IUPAC: 8-[(2-chlorophenyl)-phenylmethyl]-3-methyl-3,8-diazabicyclo[3.2.1]octane
English name: 8-[o-Chlorophenyl(phenyl)methyl]-3-methyl-3,8-diazabicyclo[3.2.1]octane
Molecular formula: C20H23ClN2
Molecular weight: 326.86

Names & synonyms

63978-18-7BRN 05577668-(o-Chlorodiphenyl)methyl-3-methyl-3,8-diazabicyclo(3.2.1)octane3,8-DIAZABICYCLO(3.2.1)OCTANE, 8-(o-CHLORODIPHENYL)METHYL-3-METHYL-DTXSID209814638-[(2-CHLOROPHENYL)(PHENYL)METHYL]-3-METHYL-3,8-DIAZABICYCLO[3.2.1]OCTANE8-[o-Chlorophenyl(phenyl)methyl]-3-methyl-3,8-diazabicyclo[3.2.1]octane3,8-Diazabicyclo[3.2.1]octane, 8-[(2-chlorophenyl)phenylmethyl]-3-methyl-

Database identifiers

CAS: 63978-18-7
PubChem CID: 45844
DTXSID: DTXSID20981463
Nikkaji: J68.420A

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 6.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 381

Physicochemical properties

Boiling point: 417.8 · 417.8±40.0 °C(Predicted)
Density: 1.17 · 1.170±0.06 g/cm3(Predicted)
pka: 7.83 · 7.83±0.20(Predicted)

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