5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-5-ol

C16H17NO — CID 3392460

IUPAC5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-5-ol
SMILESOC1(c2ccccc2)CNCCc2ccccc21
InChIInChI=1S/C16H17NO/c18-16(14-7-2-1-3-8-14)12-17-11-10-13-6-4-5-9-15(13)16/h1-9,17-18H,10-12H2
InChIKeyXIWKEQAHMUGEMX-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.07
Rot. Bonds1

About 5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-5-ol

5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-5-ol (PubChem CID 3392460) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-5-ol.

Molecular Properties

Compound Name5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-5-ol
PubChem CID3392460
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-5-ol
SMILESOC1(c2ccccc2)CNCCc2ccccc21
InChIInChI=1S/C16H17NO/c18-16(14-7-2-1-3-8-14)12-17-11-10-13-6-4-5-9-15(13)16/h1-9,17-18H,10-12H2
InChIKeyXIWKEQAHMUGEMX-UHFFFAOYSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-5-ol?
The IUPAC name of 5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-5-ol (CID 3392460) is 5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-5-ol.
What is the SMILES notation for 5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-5-ol?
The canonical SMILES for 5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-5-ol is OC1(c2ccccc2)CNCCc2ccccc21.
What is the InChIKey of 5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-5-ol?
The InChIKey is XIWKEQAHMUGEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c18-16(14-7-2-1-3-8-14)12-17-11-10-13-6-4-5-9-15(13)16/h1-9,17-18H,10-12H2.
What are the key properties of 5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-5-ol?
5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-5-ol has a molecular weight of 239.32 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-5-ol is sourced from PubChem (CID 3392460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).