10-benzyl-4-bromo-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

C21H24BrN — CID 15767683

IUPAC10-benzyl-4-bromo-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESCC1C2Cc3ccc(Br)cc3C1(C)CCN2Cc1ccccc1
InChIInChI=1S/C21H24BrN/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14H2,1-2H3
InChIKeyRFIKUGPYXNCFAU-UHFFFAOYSA-N
MW370.33 g/mol
LogP5.17
Rot. Bonds2

About 10-benzyl-4-bromo-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

10-benzyl-4-bromo-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (PubChem CID 15767683) has the molecular formula C21H24BrN and a molecular weight of 370.33 g/mol. Its IUPAC name is 10-benzyl-4-bromo-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.

Molecular Properties

Compound Name10-benzyl-4-bromo-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
PubChem CID15767683
Molecular FormulaC21H24BrN
Molecular Weight370.33 g/mol
Exact Mass369.11
IUPAC Name10-benzyl-4-bromo-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESCC1C2Cc3ccc(Br)cc3C1(C)CCN2Cc1ccccc1
InChIInChI=1S/C21H24BrN/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14H2,1-2H3
InChIKeyRFIKUGPYXNCFAU-UHFFFAOYSA-N
XLogP5.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.33
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-benzyl-4-bromo-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The IUPAC name of 10-benzyl-4-bromo-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (CID 15767683) is 10-benzyl-4-bromo-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.
What is the SMILES notation for 10-benzyl-4-bromo-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The canonical SMILES for 10-benzyl-4-bromo-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is CC1C2Cc3ccc(Br)cc3C1(C)CCN2Cc1ccccc1.
What is the InChIKey of 10-benzyl-4-bromo-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The InChIKey is RFIKUGPYXNCFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14H2,1-2H3.
What are the key properties of 10-benzyl-4-bromo-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
10-benzyl-4-bromo-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene has a molecular weight of 370.33 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-4-bromo-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is sourced from PubChem (CID 15767683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).