8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine

C11H15NO — CID 15496954

IUPAC8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCOc1ccc2c(c1)CNCCC2
InChIInChI=1S/C11H15NO/c1-13-11-5-4-9-3-2-6-12-8-10(9)7-11/h4-5,7,12H,2-3,6,8H2,1H3
InChIKeyJKOHVMHTUKORNK-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.73
Rot. Bonds1

About 8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine

8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 15496954) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID15496954
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCOc1ccc2c(c1)CNCCC2
InChIInChI=1S/C11H15NO/c1-13-11-5-4-9-3-2-6-12-8-10(9)7-11/h4-5,7,12H,2-3,6,8H2,1H3
InChIKeyJKOHVMHTUKORNK-UHFFFAOYSA-N
XLogP1.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 15496954) is 8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine is COc1ccc2c(c1)CNCCC2.
What is the InChIKey of 8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is JKOHVMHTUKORNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-13-11-5-4-9-3-2-6-12-8-10(9)7-11/h4-5,7,12H,2-3,6,8H2,1H3.
What are the key properties of 8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 177.25 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 15496954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).