8-chloro-5,11-dimethyl-6,11-dihydrobenzo[c][1]benzazepine

C16H16ClN — CID 163239944

IUPAC8-chloro-5,11-dimethyl-6,11-dihydrobenzo[c][1]benzazepine
SMILESCC1c2ccc(Cl)cc2CN(C)c2ccccc21
InChIInChI=1S/C16H16ClN/c1-11-14-8-7-13(17)9-12(14)10-18(2)16-6-4-3-5-15(11)16/h3-9,11H,10H2,1-2H3
InChIKeyZATOOXKMYYWYDD-UHFFFAOYSA-N
MW257.76 g/mol
LogP4.44
Rot. Bonds

About 8-chloro-5,11-dimethyl-6,11-dihydrobenzo[c][1]benzazepine

8-chloro-5,11-dimethyl-6,11-dihydrobenzo[c][1]benzazepine (PubChem CID 163239944) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 8-chloro-5,11-dimethyl-6,11-dihydrobenzo[c][1]benzazepine.

Molecular Properties

Compound Name8-chloro-5,11-dimethyl-6,11-dihydrobenzo[c][1]benzazepine
PubChem CID163239944
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name8-chloro-5,11-dimethyl-6,11-dihydrobenzo[c][1]benzazepine
SMILESCC1c2ccc(Cl)cc2CN(C)c2ccccc21
InChIInChI=1S/C16H16ClN/c1-11-14-8-7-13(17)9-12(14)10-18(2)16-6-4-3-5-15(11)16/h3-9,11H,10H2,1-2H3
InChIKeyZATOOXKMYYWYDD-UHFFFAOYSA-N
XLogP4.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5,11-dimethyl-6,11-dihydrobenzo[c][1]benzazepine?
The IUPAC name of 8-chloro-5,11-dimethyl-6,11-dihydrobenzo[c][1]benzazepine (CID 163239944) is 8-chloro-5,11-dimethyl-6,11-dihydrobenzo[c][1]benzazepine.
What is the SMILES notation for 8-chloro-5,11-dimethyl-6,11-dihydrobenzo[c][1]benzazepine?
The canonical SMILES for 8-chloro-5,11-dimethyl-6,11-dihydrobenzo[c][1]benzazepine is CC1c2ccc(Cl)cc2CN(C)c2ccccc21.
What is the InChIKey of 8-chloro-5,11-dimethyl-6,11-dihydrobenzo[c][1]benzazepine?
The InChIKey is ZATOOXKMYYWYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN/c1-11-14-8-7-13(17)9-12(14)10-18(2)16-6-4-3-5-15(11)16/h3-9,11H,10H2,1-2H3.
What are the key properties of 8-chloro-5,11-dimethyl-6,11-dihydrobenzo[c][1]benzazepine?
8-chloro-5,11-dimethyl-6,11-dihydrobenzo[c][1]benzazepine has a molecular weight of 257.76 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5,11-dimethyl-6,11-dihydrobenzo[c][1]benzazepine is sourced from PubChem (CID 163239944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).