8-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-ol

C11H15NO — CID 83874748

IUPAC8-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-ol
SMILESCc1cc(O)c2c(c1)CCNCC2
InChIInChI=1S/C11H15NO/c1-8-6-9-2-4-12-5-3-10(9)11(13)7-8/h6-7,12-13H,2-5H2,1H3
InChIKeyUUIBDIWMFGOQGA-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.39
Rot. Bonds

About 8-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-ol

8-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-ol (PubChem CID 83874748) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 8-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-ol.

Molecular Properties

Compound Name8-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-ol
PubChem CID83874748
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name8-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-ol
SMILESCc1cc(O)c2c(c1)CCNCC2
InChIInChI=1S/C11H15NO/c1-8-6-9-2-4-12-5-3-10(9)11(13)7-8/h6-7,12-13H,2-5H2,1H3
InChIKeyUUIBDIWMFGOQGA-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-ol?
The IUPAC name of 8-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-ol (CID 83874748) is 8-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-ol.
What is the SMILES notation for 8-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-ol?
The canonical SMILES for 8-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-ol is Cc1cc(O)c2c(c1)CCNCC2.
What is the InChIKey of 8-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-ol?
The InChIKey is UUIBDIWMFGOQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-6-9-2-4-12-5-3-10(9)11(13)7-8/h6-7,12-13H,2-5H2,1H3.
What are the key properties of 8-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-ol?
8-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-ol has a molecular weight of 177.25 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-ol is sourced from PubChem (CID 83874748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).