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

C11H15NO — CID 83874746

IUPAC6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol
SMILESCc1cc(O)cc2c1CCNCC2
InChIInChI=1S/C11H15NO/c1-8-6-10(13)7-9-2-4-12-5-3-11(8)9/h6-7,12-13H,2-5H2,1H3
InChIKeyKWVNOUKBDABGFD-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.39
Rot. Bonds

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

6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol (PubChem CID 83874746) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol.

Molecular Properties

Compound Name6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol
PubChem CID83874746
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol
SMILESCc1cc(O)cc2c1CCNCC2
InChIInChI=1S/C11H15NO/c1-8-6-10(13)7-9-2-4-12-5-3-11(8)9/h6-7,12-13H,2-5H2,1H3
InChIKeyKWVNOUKBDABGFD-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 6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol?
The IUPAC name of 6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol (CID 83874746) is 6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol.
What is the SMILES notation for 6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol?
The canonical SMILES for 6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol is Cc1cc(O)cc2c1CCNCC2.
What is the InChIKey of 6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol?
The InChIKey is KWVNOUKBDABGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-6-10(13)7-9-2-4-12-5-3-11(8)9/h6-7,12-13H,2-5H2,1H3.
What are the key properties of 6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol?
6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-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 6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol is sourced from PubChem (CID 83874746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).