3-benzyl-4-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine

C19H23N — CID 79007517

IUPAC3-benzyl-4-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCCC1Cc2ccccc2CNC1Cc1ccccc1
InChIInChI=1S/C19H23N/c1-2-16-13-17-10-6-7-11-18(17)14-20-19(16)12-15-8-4-3-5-9-15/h3-11,16,19-20H,2,12-14H2,1H3
InChIKeyNVIOZJQWIQCLAI-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.97
Rot. Bonds3

About 3-benzyl-4-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine

3-benzyl-4-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 79007517) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-benzyl-4-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name3-benzyl-4-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID79007517
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name3-benzyl-4-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCCC1Cc2ccccc2CNC1Cc1ccccc1
InChIInChI=1S/C19H23N/c1-2-16-13-17-10-6-7-11-18(17)14-20-19(16)12-15-8-4-3-5-9-15/h3-11,16,19-20H,2,12-14H2,1H3
InChIKeyNVIOZJQWIQCLAI-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-benzyl-4-ethyl-2,3,4,5-tetrahydro-1H-2-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 3-benzyl-4-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 3-benzyl-4-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 79007517) is 3-benzyl-4-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 3-benzyl-4-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 3-benzyl-4-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine is CCC1Cc2ccccc2CNC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is NVIOZJQWIQCLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-2-16-13-17-10-6-7-11-18(17)14-20-19(16)12-15-8-4-3-5-9-15/h3-11,16,19-20H,2,12-14H2,1H3.
What are the key properties of 3-benzyl-4-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
3-benzyl-4-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 265.40 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 79007517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).