5,11-dimethyl-7,8-dihydrobenzo[b][1]benzazepine

C16H17N — CID 170189111

IUPAC5,11-dimethyl-7,8-dihydrobenzo[b][1]benzazepine
SMILESCC1=CC2=C(C=CCC2)N(C)c2ccccc21
InChIInChI=1S/C16H17N/c1-12-11-13-7-3-5-9-15(13)17(2)16-10-6-4-8-14(12)16/h4-6,8-11H,3,7H2,1-2H3
InChIKeyPFMIBGFUNWGILT-UHFFFAOYSA-N
MW223.32 g/mol
LogP4.14
Rot. Bonds

About 5,11-dimethyl-7,8-dihydrobenzo[b][1]benzazepine

5,11-dimethyl-7,8-dihydrobenzo[b][1]benzazepine (PubChem CID 170189111) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 5,11-dimethyl-7,8-dihydrobenzo[b][1]benzazepine.

Molecular Properties

Compound Name5,11-dimethyl-7,8-dihydrobenzo[b][1]benzazepine
PubChem CID170189111
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name5,11-dimethyl-7,8-dihydrobenzo[b][1]benzazepine
SMILESCC1=CC2=C(C=CCC2)N(C)c2ccccc21
InChIInChI=1S/C16H17N/c1-12-11-13-7-3-5-9-15(13)17(2)16-10-6-4-8-14(12)16/h4-6,8-11H,3,7H2,1-2H3
InChIKeyPFMIBGFUNWGILT-UHFFFAOYSA-N
XLogP4.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Desipramine
CID 2995
Imipramine
CID 3696
Dimethyl-p-toluidine
CID 7471
Imipramine Hydrochloride
CID 8228
Trimipramine
CID 5584
Leucomalachite green
CID 67215
Desipramine Hydrochloride
CID 65327
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Bamipine
CID 72075
Leucocrystal Violet
CID 69048
Dibenz(b,f)azepine
CID 9212
2,2,4-Trimethyl-1,2-dihydroquinoline
CID 8981

Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-7,8-dihydrobenzo[b][1]benzazepine?
The IUPAC name of 5,11-dimethyl-7,8-dihydrobenzo[b][1]benzazepine (CID 170189111) is 5,11-dimethyl-7,8-dihydrobenzo[b][1]benzazepine.
What is the SMILES notation for 5,11-dimethyl-7,8-dihydrobenzo[b][1]benzazepine?
The canonical SMILES for 5,11-dimethyl-7,8-dihydrobenzo[b][1]benzazepine is CC1=CC2=C(C=CCC2)N(C)c2ccccc21.
What is the InChIKey of 5,11-dimethyl-7,8-dihydrobenzo[b][1]benzazepine?
The InChIKey is PFMIBGFUNWGILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-12-11-13-7-3-5-9-15(13)17(2)16-10-6-4-8-14(12)16/h4-6,8-11H,3,7H2,1-2H3.
What are the key properties of 5,11-dimethyl-7,8-dihydrobenzo[b][1]benzazepine?
5,11-dimethyl-7,8-dihydrobenzo[b][1]benzazepine has a molecular weight of 223.32 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-7,8-dihydrobenzo[b][1]benzazepine is sourced from PubChem (CID 170189111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).