2-(2,3,4,8-tetrahydro-1-benzazepin-1-yl)ethanol

C12H17NO — CID 70013324

IUPAC2-(2,3,4,8-tetrahydro-1-benzazepin-1-yl)ethanol
SMILESOCCN1CCCC=C2C=CCC=C21
InChIInChI=1S/C12H17NO/c14-10-9-13-8-4-3-6-11-5-1-2-7-12(11)13/h1,5-7,14H,2-4,8-10H2
InChIKeyAPKWPPSHORICOL-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.84
Rot. Bonds2

About 2-(2,3,4,8-tetrahydro-1-benzazepin-1-yl)ethanol

2-(2,3,4,8-tetrahydro-1-benzazepin-1-yl)ethanol (PubChem CID 70013324) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(2,3,4,8-tetrahydro-1-benzazepin-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,3,4,8-tetrahydro-1-benzazepin-1-yl)ethanol
PubChem CID70013324
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(2,3,4,8-tetrahydro-1-benzazepin-1-yl)ethanol
SMILESOCCN1CCCC=C2C=CCC=C21
InChIInChI=1S/C12H17NO/c14-10-9-13-8-4-3-6-11-5-1-2-7-12(11)13/h1,5-7,14H,2-4,8-10H2
InChIKeyAPKWPPSHORICOL-UHFFFAOYSA-N
XLogP1.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,8-tetrahydro-1-benzazepin-1-yl)ethanol?
The IUPAC name of 2-(2,3,4,8-tetrahydro-1-benzazepin-1-yl)ethanol (CID 70013324) is 2-(2,3,4,8-tetrahydro-1-benzazepin-1-yl)ethanol.
What is the SMILES notation for 2-(2,3,4,8-tetrahydro-1-benzazepin-1-yl)ethanol?
The canonical SMILES for 2-(2,3,4,8-tetrahydro-1-benzazepin-1-yl)ethanol is OCCN1CCCC=C2C=CCC=C21.
What is the InChIKey of 2-(2,3,4,8-tetrahydro-1-benzazepin-1-yl)ethanol?
The InChIKey is APKWPPSHORICOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-10-9-13-8-4-3-6-11-5-1-2-7-12(11)13/h1,5-7,14H,2-4,8-10H2.
What are the key properties of 2-(2,3,4,8-tetrahydro-1-benzazepin-1-yl)ethanol?
2-(2,3,4,8-tetrahydro-1-benzazepin-1-yl)ethanol has a molecular weight of 191.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,8-tetrahydro-1-benzazepin-1-yl)ethanol is sourced from PubChem (CID 70013324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).