11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-6-ol;hydrobromide

C18H22BrNO — CID 52946556

IUPAC11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-6-ol;hydrobromide
SMILESBr.CN1CCc2ccccc2Cc2ccc(O)cc2CC1
InChIInChI=1S/C18H21NO.BrH/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19;/h2-7,13,20H,8-12H2,1H3;1H
InChIKeyUCIOVGXNJAERJD-UHFFFAOYSA-N
MW348.28 g/mol
LogP3.59
Rot. Bonds

About 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-6-ol;hydrobromide

11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-6-ol;hydrobromide (PubChem CID 52946556) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-6-ol;hydrobromide.

Molecular Properties

Compound Name11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-6-ol;hydrobromide
PubChem CID52946556
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-6-ol;hydrobromide
SMILESBr.CN1CCc2ccccc2Cc2ccc(O)cc2CC1
InChIInChI=1S/C18H21NO.BrH/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19;/h2-7,13,20H,8-12H2,1H3;1H
InChIKeyUCIOVGXNJAERJD-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-6-ol;hydrobromide?
The IUPAC name of 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-6-ol;hydrobromide (CID 52946556) is 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-6-ol;hydrobromide.
What is the SMILES notation for 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-6-ol;hydrobromide?
The canonical SMILES for 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-6-ol;hydrobromide is Br.CN1CCc2ccccc2Cc2ccc(O)cc2CC1.
What is the InChIKey of 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-6-ol;hydrobromide?
The InChIKey is UCIOVGXNJAERJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.BrH/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19;/h2-7,13,20H,8-12H2,1H3;1H.
What are the key properties of 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-6-ol;hydrobromide?
11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-6-ol;hydrobromide has a molecular weight of 348.28 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-6-ol;hydrobromide is sourced from PubChem (CID 52946556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).