8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol

C17H19NO2 — CID 10801923

IUPAC8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
SMILESCOc1cc2c(cc1O)C(c1ccccc1)CNCC2
InChIInChI=1S/C17H19NO2/c1-20-17-9-13-7-8-18-11-15(14(13)10-16(17)19)12-5-3-2-4-6-12/h2-6,9-10,15,18-19H,7-8,11H2,1H3
InChIKeyKJTCMLYTSGLTBF-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.68
Rot. Bonds2

About 8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol

8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol (PubChem CID 10801923) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol.

Molecular Properties

Compound Name8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
PubChem CID10801923
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
SMILESCOc1cc2c(cc1O)C(c1ccccc1)CNCC2
InChIInChI=1S/C17H19NO2/c1-20-17-9-13-7-8-18-11-15(14(13)10-16(17)19)12-5-3-2-4-6-12/h2-6,9-10,15,18-19H,7-8,11H2,1H3
InChIKeyKJTCMLYTSGLTBF-UHFFFAOYSA-N
XLogP2.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol?
The IUPAC name of 8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol (CID 10801923) is 8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol.
What is the SMILES notation for 8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol?
The canonical SMILES for 8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol is COc1cc2c(cc1O)C(c1ccccc1)CNCC2.
What is the InChIKey of 8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol?
The InChIKey is KJTCMLYTSGLTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-17-9-13-7-8-18-11-15(14(13)10-16(17)19)12-5-3-2-4-6-12/h2-6,9-10,15,18-19H,7-8,11H2,1H3.
What are the key properties of 8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol?
8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol has a molecular weight of 269.34 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol is sourced from PubChem (CID 10801923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).