6-(chloromethyl)-11H-benzo[c][1]benzazepine

C15H12ClN — CID 816899

IUPAC6-(chloromethyl)-11H-benzo[c][1]benzazepine
SMILESClCC1=Nc2ccccc2Cc2ccccc21
InChIInChI=1S/C15H12ClN/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)17-15/h1-8H,9-10H2
InChIKeyIIMMHAZDMPISBS-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.95
Rot. Bonds1

About 6-(chloromethyl)-11H-benzo[c][1]benzazepine

6-(chloromethyl)-11H-benzo[c][1]benzazepine (PubChem CID 816899) has the molecular formula C15H12ClN and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-(chloromethyl)-11H-benzo[c][1]benzazepine.

Molecular Properties

Compound Name6-(chloromethyl)-11H-benzo[c][1]benzazepine
PubChem CID816899
Molecular FormulaC15H12ClN
Molecular Weight241.72 g/mol
Exact Mass241.07
IUPAC Name6-(chloromethyl)-11H-benzo[c][1]benzazepine
SMILESClCC1=Nc2ccccc2Cc2ccccc21
InChIInChI=1S/C15H12ClN/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)17-15/h1-8H,9-10H2
InChIKeyIIMMHAZDMPISBS-UHFFFAOYSA-N
XLogP3.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-11H-benzo[c][1]benzazepine?
The IUPAC name of 6-(chloromethyl)-11H-benzo[c][1]benzazepine (CID 816899) is 6-(chloromethyl)-11H-benzo[c][1]benzazepine.
What is the SMILES notation for 6-(chloromethyl)-11H-benzo[c][1]benzazepine?
The canonical SMILES for 6-(chloromethyl)-11H-benzo[c][1]benzazepine is ClCC1=Nc2ccccc2Cc2ccccc21.
What is the InChIKey of 6-(chloromethyl)-11H-benzo[c][1]benzazepine?
The InChIKey is IIMMHAZDMPISBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)17-15/h1-8H,9-10H2.
What are the key properties of 6-(chloromethyl)-11H-benzo[c][1]benzazepine?
6-(chloromethyl)-11H-benzo[c][1]benzazepine has a molecular weight of 241.72 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-11H-benzo[c][1]benzazepine is sourced from PubChem (CID 816899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).