7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine

C15H22BrNO — CID 10335666

IUPAC7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCCCN1CCc2cc(OC)c(Br)cc2C(C)C1
InChIInChI=1S/C15H22BrNO/c1-4-6-17-7-5-12-8-15(18-3)14(16)9-13(12)11(2)10-17/h8-9,11H,4-7,10H2,1-3H3
InChIKeyXYDLVEIIQDOYDA-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.83
Rot. Bonds3

About 7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine

7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 10335666) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID10335666
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCCCN1CCc2cc(OC)c(Br)cc2C(C)C1
InChIInChI=1S/C15H22BrNO/c1-4-6-17-7-5-12-8-15(18-3)14(16)9-13(12)11(2)10-17/h8-9,11H,4-7,10H2,1-3H3
InChIKeyXYDLVEIIQDOYDA-UHFFFAOYSA-N
XLogP3.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine (CID 10335666) is 7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine is CCCN1CCc2cc(OC)c(Br)cc2C(C)C1.
What is the InChIKey of 7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is XYDLVEIIQDOYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-4-6-17-7-5-12-8-15(18-3)14(16)9-13(12)11(2)10-17/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine?
7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 312.25 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 10335666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).