1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide

C14H20BrNO — CID 20834073

IUPAC1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide
SMILESBr.CC12CCNCC(Cc3ccc(O)cc31)C2
InChIInChI=1S/C14H19NO.BrH/c1-14-4-5-15-9-10(8-14)6-11-2-3-12(16)7-13(11)14;/h2-3,7,10,15-16H,4-6,8-9H2,1H3;1H
InChIKeyBRRKMMWLLUKYTL-UHFFFAOYSA-N
MW298.22 g/mol
LogP2.78
Rot. Bonds

About 1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide

1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide (PubChem CID 20834073) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide.

Molecular Properties

Compound Name1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide
PubChem CID20834073
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide
SMILESBr.CC12CCNCC(Cc3ccc(O)cc31)C2
InChIInChI=1S/C14H19NO.BrH/c1-14-4-5-15-9-10(8-14)6-11-2-3-12(16)7-13(11)14;/h2-3,7,10,15-16H,4-6,8-9H2,1H3;1H
InChIKeyBRRKMMWLLUKYTL-UHFFFAOYSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide?
The IUPAC name of 1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide (CID 20834073) is 1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide.
What is the SMILES notation for 1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide?
The canonical SMILES for 1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide is Br.CC12CCNCC(Cc3ccc(O)cc31)C2.
What is the InChIKey of 1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide?
The InChIKey is BRRKMMWLLUKYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.BrH/c1-14-4-5-15-9-10(8-14)6-11-2-3-12(16)7-13(11)14;/h2-3,7,10,15-16H,4-6,8-9H2,1H3;1H.
What are the key properties of 1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide?
1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide has a molecular weight of 298.22 g/mol, XLogP of 2.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide is sourced from PubChem (CID 20834073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).