2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanol

C16H17NO — CID 826961

IUPAC2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanol
SMILESOCCN1c2ccccc2CCc2ccccc21
InChIInChI=1S/C16H17NO/c18-12-11-17-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)17/h1-8,18H,9-12H2
InChIKeyNAZDAHJWPFCBJK-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.92
Rot. Bonds2

About 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanol

2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanol (PubChem CID 826961) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanol.

Molecular Properties

Compound Name2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanol
PubChem CID826961
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanol
SMILESOCCN1c2ccccc2CCc2ccccc21
InChIInChI=1S/C16H17NO/c18-12-11-17-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)17/h1-8,18H,9-12H2
InChIKeyNAZDAHJWPFCBJK-UHFFFAOYSA-N
XLogP2.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanol?
The IUPAC name of 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanol (CID 826961) is 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanol.
What is the SMILES notation for 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanol?
The canonical SMILES for 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanol is OCCN1c2ccccc2CCc2ccccc21.
What is the InChIKey of 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanol?
The InChIKey is NAZDAHJWPFCBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c18-12-11-17-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)17/h1-8,18H,9-12H2.
What are the key properties of 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanol?
2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanol has a molecular weight of 239.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanol is sourced from PubChem (CID 826961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).