3-ethoxy-4-methyl-1H-2-benzazepine

C13H15NO — CID 15047405

IUPAC3-ethoxy-4-methyl-1H-2-benzazepine
SMILESCCOC1=NCc2ccccc2C=C1C
InChIInChI=1S/C13H15NO/c1-3-15-13-10(2)8-11-6-4-5-7-12(11)9-14-13/h4-8H,3,9H2,1-2H3
InChIKeyRBUKBSISIAZILS-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.04
Rot. Bonds1

About 3-ethoxy-4-methyl-1H-2-benzazepine

3-ethoxy-4-methyl-1H-2-benzazepine (PubChem CID 15047405) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-ethoxy-4-methyl-1H-2-benzazepine.

Molecular Properties

Compound Name3-ethoxy-4-methyl-1H-2-benzazepine
PubChem CID15047405
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-ethoxy-4-methyl-1H-2-benzazepine
SMILESCCOC1=NCc2ccccc2C=C1C
InChIInChI=1S/C13H15NO/c1-3-15-13-10(2)8-11-6-4-5-7-12(11)9-14-13/h4-8H,3,9H2,1-2H3
InChIKeyRBUKBSISIAZILS-UHFFFAOYSA-N
XLogP3.04
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methyl-1H-2-benzazepine?
The IUPAC name of 3-ethoxy-4-methyl-1H-2-benzazepine (CID 15047405) is 3-ethoxy-4-methyl-1H-2-benzazepine.
What is the SMILES notation for 3-ethoxy-4-methyl-1H-2-benzazepine?
The canonical SMILES for 3-ethoxy-4-methyl-1H-2-benzazepine is CCOC1=NCc2ccccc2C=C1C.
What is the InChIKey of 3-ethoxy-4-methyl-1H-2-benzazepine?
The InChIKey is RBUKBSISIAZILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-15-13-10(2)8-11-6-4-5-7-12(11)9-14-13/h4-8H,3,9H2,1-2H3.
What are the key properties of 3-ethoxy-4-methyl-1H-2-benzazepine?
3-ethoxy-4-methyl-1H-2-benzazepine has a molecular weight of 201.27 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methyl-1H-2-benzazepine is sourced from PubChem (CID 15047405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).