11-[1-(3-bromophenyl)ethyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene

C21H24BrN — CID 58926572

IUPAC11-[1-(3-bromophenyl)ethyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
SMILESCC(c1cccc(Br)c1)N1CC2CCC1Cc1ccccc1C2
InChIInChI=1S/C21H24BrN/c1-15(17-7-4-8-20(22)12-17)23-14-16-9-10-21(23)13-19-6-3-2-5-18(19)11-16/h2-8,12,15-16,21H,9-11,13-14H2,1H3
InChIKeyUJAUYSQNCUMWLG-UHFFFAOYSA-N
MW370.33 g/mol
LogP5.39
Rot. Bonds2

About 11-[1-(3-bromophenyl)ethyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene

11-[1-(3-bromophenyl)ethyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene (PubChem CID 58926572) has the molecular formula C21H24BrN and a molecular weight of 370.33 g/mol. Its IUPAC name is 11-[1-(3-bromophenyl)ethyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene.

Molecular Properties

Compound Name11-[1-(3-bromophenyl)ethyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
PubChem CID58926572
Molecular FormulaC21H24BrN
Molecular Weight370.33 g/mol
Exact Mass369.11
IUPAC Name11-[1-(3-bromophenyl)ethyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
SMILESCC(c1cccc(Br)c1)N1CC2CCC1Cc1ccccc1C2
InChIInChI=1S/C21H24BrN/c1-15(17-7-4-8-20(22)12-17)23-14-16-9-10-21(23)13-19-6-3-2-5-18(19)11-16/h2-8,12,15-16,21H,9-11,13-14H2,1H3
InChIKeyUJAUYSQNCUMWLG-UHFFFAOYSA-N
XLogP5.39
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 ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-bromophenyl)propan-2-amine
CID 55019679
N-[1-(3-bromophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43426726
1-[1-(3-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine
CID 64945730
1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575101
1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine
CID 63595473
ethane;11-propyl-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
CID 90927878
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 93102752
9-[1-(3-bromophenyl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64946503
1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 61003691
N-[1-(3-bromophenyl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 64856477
N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine
CID 61210641
1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine
CID 64953111

Frequently Asked Questions

What is the IUPAC name of 11-[1-(3-bromophenyl)ethyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The IUPAC name of 11-[1-(3-bromophenyl)ethyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene (CID 58926572) is 11-[1-(3-bromophenyl)ethyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene.
What is the SMILES notation for 11-[1-(3-bromophenyl)ethyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The canonical SMILES for 11-[1-(3-bromophenyl)ethyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene is CC(c1cccc(Br)c1)N1CC2CCC1Cc1ccccc1C2.
What is the InChIKey of 11-[1-(3-bromophenyl)ethyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The InChIKey is UJAUYSQNCUMWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN/c1-15(17-7-4-8-20(22)12-17)23-14-16-9-10-21(23)13-19-6-3-2-5-18(19)11-16/h2-8,12,15-16,21H,9-11,13-14H2,1H3.
What are the key properties of 11-[1-(3-bromophenyl)ethyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
11-[1-(3-bromophenyl)ethyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene has a molecular weight of 370.33 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[1-(3-bromophenyl)ethyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene is sourced from PubChem (CID 58926572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).