3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol

C12H17NO — CID 10261961

IUPAC3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol
SMILESCCN1CCc2cccc(O)c2CC1
InChIInChI=1S/C12H17NO/c1-2-13-8-6-10-4-3-5-12(14)11(10)7-9-13/h3-5,14H,2,6-9H2,1H3
InChIKeyHTCXSPINZBVTNI-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.81
Rot. Bonds1

About 3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol

3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol (PubChem CID 10261961) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol.

Molecular Properties

Compound Name3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol
PubChem CID10261961
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol
SMILESCCN1CCc2cccc(O)c2CC1
InChIInChI=1S/C12H17NO/c1-2-13-8-6-10-4-3-5-12(14)11(10)7-9-13/h3-5,14H,2,6-9H2,1H3
InChIKeyHTCXSPINZBVTNI-UHFFFAOYSA-N
XLogP1.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol?
The IUPAC name of 3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol (CID 10261961) is 3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol.
What is the SMILES notation for 3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol?
The canonical SMILES for 3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol is CCN1CCc2cccc(O)c2CC1.
What is the InChIKey of 3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol?
The InChIKey is HTCXSPINZBVTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-13-8-6-10-4-3-5-12(14)11(10)7-9-13/h3-5,14H,2,6-9H2,1H3.
What are the key properties of 3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol?
3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol has a molecular weight of 191.27 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-6-ol is sourced from PubChem (CID 10261961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).