2-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)propan-2-ol

C13H19NO — CID 84673552

IUPAC2-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)propan-2-ol
SMILESCC(C)(O)c1cccc2c1CCCCN2
InChIInChI=1S/C13H19NO/c1-13(2,15)11-7-5-8-12-10(11)6-3-4-9-14-12/h5,7-8,14-15H,3-4,6,9H2,1-2H3
InChIKeyRYNHKDBRZXZBSX-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.66
Rot. Bonds1

About 2-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)propan-2-ol

2-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)propan-2-ol (PubChem CID 84673552) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)propan-2-ol
PubChem CID84673552
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)propan-2-ol
SMILESCC(C)(O)c1cccc2c1CCCCN2
InChIInChI=1S/C13H19NO/c1-13(2,15)11-7-5-8-12-10(11)6-3-4-9-14-12/h5,7-8,14-15H,3-4,6,9H2,1-2H3
InChIKeyRYNHKDBRZXZBSX-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)propan-2-ol?
The IUPAC name of 2-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)propan-2-ol (CID 84673552) is 2-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)propan-2-ol.
What is the SMILES notation for 2-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)propan-2-ol?
The canonical SMILES for 2-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)propan-2-ol is CC(C)(O)c1cccc2c1CCCCN2.
What is the InChIKey of 2-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)propan-2-ol?
The InChIKey is RYNHKDBRZXZBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,15)11-7-5-8-12-10(11)6-3-4-9-14-12/h5,7-8,14-15H,3-4,6,9H2,1-2H3.
What are the key properties of 2-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)propan-2-ol?
2-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)propan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)propan-2-ol is sourced from PubChem (CID 84673552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).