5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

C11H15N — CID 24773979

IUPAC5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCC1CNCCc2ccccc21
InChIInChI=1S/C11H15N/c1-9-8-12-7-6-10-4-2-3-5-11(9)10/h2-5,9,12H,6-8H2,1H3
InChIKeyZRPYKXHZFPGPRZ-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.94
Rot. Bonds

About 5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 24773979) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID24773979
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCC1CNCCc2ccccc21
InChIInChI=1S/C11H15N/c1-9-8-12-7-6-10-4-2-3-5-11(9)10/h2-5,9,12H,6-8H2,1H3
InChIKeyZRPYKXHZFPGPRZ-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-methyl-2,3,4,5-tetrahydro-1H-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 5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 24773979) is 5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine is CC1CNCCc2ccccc21.
What is the InChIKey of 5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is ZRPYKXHZFPGPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-9-8-12-7-6-10-4-2-3-5-11(9)10/h2-5,9,12H,6-8H2,1H3.
What are the key properties of 5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 161.25 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 24773979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).