3,8-Diazabicyclo(3.2.1)octane, 3-(p,p'-dichlorodiphenyl)methyl-8-methyl-

HCID 45832

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Basic information

CAS: 63977-99-1
Standard SMILES: CN1C2CCC1CN(C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2
InChIKey: XNGVYJWKLCIAOT-UHFFFAOYSA-N
Molecular formula: C20H22Cl2N2
Average molar mass: 361.3 g/mol
Monoisotopic mass: 360.1160041

Names & identifiers

Preferred name: 3,8-Diazabicyclo(3.2.1)octane, 3-(p,p'-dichlorodiphenyl)methyl-8-methyl-
IUPAC: 3-[bis(4-chlorophenyl)methyl]-8-methyl-3,8-diazabicyclo[3.2.1]octane
English name: 3-[Bis(p-chlorophenyl)methyl]-8-methyl-3,8-diazabicyclo[3.2.1]octane
Molecular formula: C20H22Cl2N2
Molecular weight: 361.31

Names & synonyms

63977-99-13-(p,p'-Dichlorodiphenyl)methyl-8-methyl-3,8-diazabicyclo(3.2.1)octane3,8-DIAZABICYCLO(3.2.1)OCTANE, 3-(p,p'-DICHLORODIPHENYL)METHYL-8-METHYL-RefChem:2726873-[bis(4-chlorophenyl)methyl]-8-methyl-3,8-diazabicyclo[3.2.1]octaneDTXSID20981448DB-3044303-[Bis(p-chlorophenyl)methyl ]-8-methyl-3,8-diazabicyclo[3.2.1]octane3-[Bis(p-chlorophenyl)methyl]-8-methyl-3,8-diazabicyclo[3.2.1]octane3,8-Diazabicyclo[3.2.1]octane, 3-[bis(4-chlorophenyl)methyl]-8-methyl-

Database identifiers

CAS: 63977-99-1
PubChem CID: 45832
DTXSID: DTXSID20981448
Nikkaji: J68.428G

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 6.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 380

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