3-propyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol;hydrobromide

C13H20BrNO — CID 71345136

IUPAC3-propyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol;hydrobromide
SMILESBr.CCCN1CCc2cccc(O)c2CC1
InChIInChI=1S/C13H19NO.BrH/c1-2-8-14-9-6-11-4-3-5-13(15)12(11)7-10-14;/h3-5,15H,2,6-10H2,1H3;1H
InChIKeyHMFPXIJLZIVPCF-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.78
Rot. Bonds2

About 3-propyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol;hydrobromide

3-propyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol;hydrobromide (PubChem CID 71345136) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 3-propyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol;hydrobromide.

Molecular Properties

Compound Name3-propyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol;hydrobromide
PubChem CID71345136
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name3-propyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol;hydrobromide
SMILESBr.CCCN1CCc2cccc(O)c2CC1
InChIInChI=1S/C13H19NO.BrH/c1-2-8-14-9-6-11-4-3-5-13(15)12(11)7-10-14;/h3-5,15H,2,6-10H2,1H3;1H
InChIKeyHMFPXIJLZIVPCF-UHFFFAOYSA-N
XLogP2.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol;hydrobromide?
The IUPAC name of 3-propyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol;hydrobromide (CID 71345136) is 3-propyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol;hydrobromide.
What is the SMILES notation for 3-propyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol;hydrobromide?
The canonical SMILES for 3-propyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol;hydrobromide is Br.CCCN1CCc2cccc(O)c2CC1.
What is the InChIKey of 3-propyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol;hydrobromide?
The InChIKey is HMFPXIJLZIVPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.BrH/c1-2-8-14-9-6-11-4-3-5-13(15)12(11)7-10-14;/h3-5,15H,2,6-10H2,1H3;1H.
What are the key properties of 3-propyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol;hydrobromide?
3-propyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol;hydrobromide has a molecular weight of 286.21 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol;hydrobromide is sourced from PubChem (CID 71345136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).